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Cayman Chemical Company
Country:
USA
1180 E.Ellsworth Rd.
Ann Arbor, MI 48108
800-364-9897
Phone:
800-364-9897 (Customer Service)
Phone 2:
888-526-5351 (Technical Services)
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http://www.caymanchem.com
Cayman Chemical Company
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AS-1269574
CAS:330981-72-1
Formula: C13H14BrN3O
10626
BrC(C=C1)=CC=C1C2=NC(NCCO)=CC(C)=N2
AS-19
CAS:1000578-26-6
Formula: C18H25N3
20642
CN(C)[C@H]1CCC2=C(C=CC=C2C3=C(C)N(C)N=C3C)C1
AZIDO-FTY720
CAS:881914-35-8
Formula: C19H32N4O2
1.00086e+007
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1CN=[N]=N
BAMEA-O16B
CAS:2490668-30-7
Formula: C56H111N3O6S6
37439
O=C(CCNCCN(CCN(CCC(OCCSSCCCCCCCCCCCC)=O)CCC(OCCSSCCCCCCCCCCCC)=O)C)OCCSSCCCCCCCCCCCC
BAmP-O16B
Formula: C61H120N4O6S6
40473
CCCCCCCCCCCCSSCCOC(CCN(CCC(OCCSSCCCCCCCCCCCC)=O)CCCN1CCN(CCCNCCC(OCCSSCCCCCCCCCCCC)=O)CC1)=O
BAY U9773
CAS:154978-38-8
Formula: C27H36O5S
70770
CCCCC/C=C\C\C=C/C=C\C=C/[C@@H](Sc1ccc(cc1)C(=O)O)C(O)CCCC(=O)O
BD-ACAC2
CAS:1208313-97-6
Formula: C8H16O4
9.0036e+006
C[C@@H](O)CCOC(C[C@H](O)C)=O
BERTEROIN
CAS:4430-42-6
Formula: C7H13NS2
17880
CSCCCCCN=C=S
BTS
CAS:1576-37-0
Formula: C14H15NO2S
30099
CC1=CC=C(S(NCC2=CC=CC=C2)(=O)=O)C=C1
BUTANOYL PAF
CAS:85405-03-4
Formula: C28H58NO7P
60928
O=C(CCC)O[C@@H](COP([O-])(OCC[N+](C)(C)C)=O)COCCCCCCCCCCCCCCCC
BUTAPROST
CAS:69685-22-9
Formula: C24H40O5
13740
O=C1[C@H](CCCCCCC(OC)=O)[C@@H](/C=C/C[C@H](O)C2(CCC2)CCC)C(O)C1
BUTAPROST (FREE ACID)
CAS:433219-55-7
Formula: C23H38O5
13741
CCCC1(CCC1)[C@@H](O)C/C=C/[C@H]([C@H]2CCCCCCC(O)=O)[C@H](O)CC2=O
BUTENOYL PAF
CAS:474944-25-7
Formula: C28H56NO7P
60929
O=C(/C=C/C)O[C@@H](COP([O-])(OCC[N+](C)(C)C)=O)COCCCCCCCCCCCCCCCC
C10 AV CERAMIDE (D18:1/10:0)
CAS:1263052-40-9
Formula: C44H65NO3
9.00075e+006
OC[C@@H]([C@@](O)([H])/C=C/CCCCCCCCCCCCC)C(CCCCCCCCC/C=C\C1=C(C=CC=C2)C2=CC3=C1C=CC=C3)=O
C12-200
CAS:1220890-25-4
Formula: C70H145N5O5
36699
OC(CCCCCCCCCC)CN(CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CCN1CCN(CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CC1
C13-112-TRI-TAIL
CAS:1381861-96-6
Formula: C45H94N2O5
38383
CCCCCCCCCCCC(O)CN(CC(CCCCCCCCCCC)O)CCOCCOCCNCC(O)CCCCCCCCCCC
C14-A1
Formula: C86H177N5O5
40256
OC(CN(CC(O)CCCCCCCCCCCC)CCCCCN(CC(CCCCCCCCCCCC)O)CCN1CCN(CCCCCN(CC(O)CCCCCCCCCCCC)CC(CCCCCCCCCCCC)O)CC1)CCCCCCCCCCCC
C3-K2-E14
CAS:2933215-86-0
Formula: C69H141N5O6
39323
CCCN(CCC(NCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)=O)CCC(NCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)=O
CABERGOLINE-D6
CAS:2738376-76-4
Formula: C26H31D6N5O2
31690
O=C(NCC)N(CCCN(C([2H])([2H])[2H])C([2H])([2H])[2H])C([C@H]1CN(CC=C)[C@@]2([H])[C@](C3=C4C(C2)=CNC4=CC=C3)([H])C1)=O
CACODYLIC ACID (SODIUM SALT HYDRATE)
CAS:6131-99-3
Formula: C2H6AsO2 • Na [3H2O]
22996
C[As]([O-])(C)=O.[Na+].O.O.O
CAFFEINE
CAS:58-08-2
Formula: C8H10N4O2
14118
CN1C(N(C)C(N=CN2C)=C2C1=O)=O
CALCIUM IONOPHORE I
CAS:58801-34-6
Formula: C38H72N2O8
17407
C[C@@H](OCC(N(CCCCCCCCCCCC(OCC)=O)C)=O)[C@@H](C)OCC(N(C)CCCCCCCCCCCC(OCC)=O)=O
CAPSICONIATE
CAS:946572-73-2
Formula: C20H28O4
18172
COC1=C(O)C=CC(/C=C/COC(CCCC/C=C/C(C)C)=O)=C1
CARBADOX
CAS:6804-07-5
Formula: C11H10N4O4
24903
O=[N](C(/C=N/NC(OC)=O)=C1)=C(C=CC=C2)C2=[N]1=O
CARMOFUR
CAS:61422-45-5
Formula: C11H16FN3O3
14243
O=C1C(F)=CN(C(NCCCCCC)=O)C(N1)=O
CARPROFEN
CAS:53716-49-7
Formula: C15H12ClNO2
16409
CC(C(O)=O)C1=CC(NC2=C3C=C(Cl)C=C2)=C3C=C1
CAY10410
CAS:596104-94-8
Formula: C20H30O3
18590
O=C1/C([C@@H](C/C=C\CCCC(O)=O)CC1)=C/C=C\CCCCC
CAY10412
CAS:390824-17-6
Formula: C25H36O2S
72620
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1cscc1
CAY10434
CAS:769917-29-5
Formula: C17H25N3O
1.00051e+007
CN(C)CCCCCCOC1=CC=C(N2C=CN=C2)C=C1
CAY10506
CAS:292615-75-9
Formula: C20H26N2O4S3
1.00091e+007
O=C(CCCCC1SSCC1)NCCOc1ccc(cc1)CC1SC(=O)NC1=O
CAY10514
CAS:868526-38-9
Formula: C20H28O4
1.0009e+007
CCCCCOC1=CC=CC=C1C(O)CC#CCCCC(OC)=O
CAY10598
CAS:346673-06-1
Formula: C21H29N5O2
13281
O=C1N(CCCCCCC2=NN=NN2)[C@](/C=C/[C@@H](O)CC3=CC=CC=C3)([H])CC1
CAY10616
CAS:586410-08-4
Formula: C17H18O4
13291
COc1cc(\C=C\c2ccc(OC)c(O)c2)cc(OC)c1
CAY10621
CAS:120005-55-2
Formula: C26H45NO4
13371
CCCCCCCCCCCCCCCC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
CAY10632
CAS:105517-82-6
Formula: C32H52O2
10497
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(O)=O
CAY10771
CAS:2522599-79-5
Formula: C28H25Cl3N2O4
31758
ClC1=CC=CC(Cl)=C1C2=NOC(C(C)C)=C2COC3=CC(Cl)=C(CNC4=CC=C(CC(O)=O)C=C4)C=C3
CB-86
CAS:1150586-64-3
Formula: C26H43NO3
13289
CC(C1=CC(O)=CC(OCCCCCCCC(NC2CC2)=O)=C1)(C)CCCCCC
CBL-018
CAS:2365471-54-9
Formula: C24H23NO2
16443
CCCCCN1C=C(C(OC2=C(C=CC=C3)C3=CC=C2)=O)C4=CC=CC=C41
CHAMAZULENE
CAS:529-05-5
Formula: C14H16
36072
CCC1=CC=C(C)C2=CC=C(C)C2=C1
CHLORAMINE-T (HYDRATE)
CAS:149358-73-6
Formula: C7H7ClNO2S • Na [XH2O]
30533
CC1=CC=C(S([N-]Cl)(=O)=O)C=C1.[Na+].O
CHLORPHENIRAMINE (MALEATE)
CAS:113-92-8
Formula: C16H19ClN2 • C4H4O4
21253
ClC(C=C1)=CC=C1C(CCN(C)C)C2=CC=CC=N2.OC(/C=C\C(O)=O)=O
CHLORPROTHIXENE (HYDROCHLORIDE)
CAS:6469-93-8
Formula: C18H18ClNS • HCl
20772
ClC1=CC2=C(C=C1)SC3=CC=CC=C3/C2=C/CCN(C)C.Cl
Cholesterol (solution)
CAS:57-88-5
Formula: C27H46O
39088
O[C@H](C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C
CHOLESTERYL DOCOSAPENTAENOATE
CAS:70110-49-5
Formula: C49H78O2
22718
C[C@]12C(C[C@@H](OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C
CHOLESTERYL LINOLEATE HYDROPEROXIDES
Formula: C45H76O4
48001
CCCCC\C=C/C=C/C(OO)CCCCCCCC(O[C@@H]1CC2=CCC(C(CCC3C(CCCC(C)C)C)[C@]3(C)CC4)C4[C@@]2(C)CC1)=O.CCCCCC(OO)/C=C/C=C\CCCCCCCC(O[C@@H]5CC6=CCC(C(CCC7C(C)CCCC(C)C)[C@]7(C)CC8)C8[C@@]6(C)CC5)=O
CHOLESTERYL NERVONATE
CAS:60758-73-8
Formula: C51H90O2
26471
C[C@]12C(C[C@@H](OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC[C@@]4([C@@H](CCCC(C)C)C)[H]
CIS,CIS-OCTADECA-9,12-DIENOL
CAS:506-43-4
Formula: C18H34O
16556
CCCCC/C=C\C/C=C\CCCCCCCCO
CIS-10-HEPTADECENOIC ACID
CAS:29743-97-3
Formula: C17H32O2
19748
OC(CCCCCCCC/C=C\CCCCCC)=O
CIS-10-NONADECENOIC ACID
CAS:73033-09-7
Formula: C19H36O2
19749
OC(CCCCCCCC/C=C\CCCCCCCC)=O
CIS-2-DECENOIC ACID
CAS:15790-91-7
Formula: C10H18O2
11966
OC(/C=C\CCCCCCC)=O
CIS-6-HEXADECENOIC ACID
CAS:17004-51-2
Formula: C16H30O2
9.00185e+006
CCCCCCCCC/C=C\CCCCC(O)=O
CIS-7-HEXADECENOIC ACID
CAS:2416-19-5
Formula: C16H30O2
1.00073e+007
CCCCCCCC/C=C\CCCCCC(O)=O
CIS-RESVERATROL
CAS:61434-67-1
Formula: C14H12O3
1.00042e+007
OC1=CC(/C=C\C2=CC=C(O)C=C2)=CC(O)=C1
CIS-TRISMETHOXY RESVERATROL
CAS:94608-23-8
Formula: C17H18O3
13199
COC1=CC(/C=C\C2=CC=C(OC)C=C2)=CC(OC)=C1
CIS-VACCENIC ACID
CAS:506-17-2
Formula: C18H34O2
20023
OC(CCCCCCCCC/C=C\CCCCCC)=O
CITRININ-13C13
Formula: [13C]13H14O5
31296
O[13C]([13C]1=[13CH]O[13C@H]([13CH3])[13C@@H]([13CH3])[13C]1=[13C]2[13CH3])=[13C]([13C](O)=O)[13C]2=O
cKK-E12
CAS:1432494-65-9
Formula: C60H120N4O6
36700
O=C1NC(CCCCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)C(NC1CCCCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)=O
CL2201
CAS:1391486-12-6
Formula: C24H21ClFNO
15065
O=C(C1=CC=C(Cl)C2=C1C=CC=C2)C3=CN(CCCCCF)C4=C3C=CC=C4
CL4H6
CAS:2256087-35-9
Formula: C59H113NO5
37279
CCCN(CCC)CCCCC(O)(CCCCCCOC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCOC(CCCCCCC/C=C\CCCCCCCC)=O
CONCANAMYCIN A
CAS:80890-47-7
Formula: C46H75NO14
11050
C[C@H](/C=C(C)/C=C1\OC)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C\C=C\[C@H](OC)[C@@]([C@@H](C)[C@@H](O)[C@H](C)[C@@](O)(C[C@@H](O[C@@]2([H])C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]3C)O[C@@H]3/C=C/C)([H])OC1=O
CYCLOPHOSPHAMIDE (HYDRATE)
CAS:6055-19-2
Formula: C7H15Cl2N2O2P • H2O
13849
O=P1(N(CCCl)CCCl)OCCCN1.O
CYCLOPIAZONIC ACID-13C20
Formula: [13C]20H20N2O3
31297
[13CH3][13C]1([13CH3])N2[13C@@]([13C](O)=[13C]([13C]([13CH3])=O)[13C]2=O)([H])[13C@@]([13C@@]1([H])[13CH2]3)([H])[13C]4=[13CH]N[13C]5=[13C]4[13C]3=[13CH][13CH]=[13CH]5
Cyfluthrin-d6
CAS:2483831-11-2
Formula: C22H12Cl2D6FNO3
39600
O=C(C1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1/C=C(Cl)\Cl)OC(C#N)C2=CC(OC3=CC=CC=C3)=C(F)C=C2
D-A-HYDROXYGLUTARIC ACID
CAS:13095-47-1
Formula: C5H8O5
25895
OC([C@@H](CCC(O)=O)O)=O
D-TOCOTRIENOL
CAS:25612-59-3
Formula: C27H40O2
1.00085e+007
C/C(CC/C=C(C)/CC/C=C(C)/C)=C\CC[C@@]1(C)OC2=C(C)C=C(O)C=C2CC1
DAN-1 EE (HYDROCHLORIDE)
CAS:1049720-51-5
Formula: C20H20N2O2 • HCl
85070
NC1=CC2=CC=CC=C2C=C1NCC3=CC=C(C(OCC)=O)C=C3.Cl
DANSYL CHLORIDE
CAS:605-65-2
Formula: C12H12ClNO2S
27458
CN(C)C1=CC=CC2=C1C=CC=C2S(Cl)(=O)=O
DECAMETHONIUM (BROMIDE)
CAS:541-22-0
Formula: C16H38N2 • 2Br
24907
C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C.[Br-].[Br-]
DECYLUBIQUINONE
CAS:55486-00-5
Formula: C19H30O4
21027
COC(C(C(CCCCCCCCCC)=C1C)=O)=C(OC)C1=O
diacetoxy Scirpenol-13C19
Formula: [13C]19H26O7
31287
[13CH3][13C]1=[13CH][13C@]2([H])[13C@]([13C@]([13C@H](O[13C]([13CH3])=O)[13C@H]3O)([13CH3])[13C@]4([13CH2]O4)[13C@]3([H])O2)([13CH2]O[13C]([13CH3])=O)[13CH2][13CH2]1
DIALLYL SULFIDE
CAS:592-88-1
Formula: C6H10S
20894
C=CCSCC=C
DIALLYL TETRASULFIDE
CAS:2444-49-7
Formula: C6H10S4
29328
C=CCSSSSCC=C
DIALLYL TRISULFIDE
CAS:2050-87-5
Formula: C6H10S3
1.00126e+007
C=CCSSSCC=C
DICHLORVOS
CAS:62-73-7
Formula: C4H7Cl2O4P
23727
Cl/C(Cl)=C/OP(OC)(OC)=O
DICLOFENAC (DIETHYLAMINE)
CAS:78213-16-8
Formula: C14H11Cl2NO2 • C4H11N
22983
ClC1=C(NC2=C(CC(O)=O)C=CC=C2)C(Cl)=CC=C1.CCNCC
DICLOFENAC (SODIUM SALT)
CAS:15307-79-6
Formula: C14H10Cl2NO2 • Na
70680
ClC1=C(N([H])C2=C(CC([O-])=O)C=CC=C2)C(Cl)=CC=C1.[Na+]
DIHOMO-?-LINOLENIC ACID
CAS:1783-84-2
Formula: C20H34O2
90230
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
DIHOMO-?-LINOLENIC ACID ETHYL ESTER
CAS:55968-21-3
Formula: C22H38O2
90236
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC
DIHOMO-?-LINOLENIC ACID-D6
CAS:81540-86-5
Formula: C20H28D6O2
10458
[2H]/C(CCCCCCC(O)=O)=C([2H])/C/C([2H])=C([2H])\C/C([2H])=C([2H])\CCCCC
DIHOMO-?-LINOLENOYL ETHANOLAMIDE
CAS:150314-34-4
Formula: C22H39NO2
90235
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCO
DINOR-12-OXO PHYTODIENOIC ACID
CAS:197247-23-7
Formula: C16H24O3
10710
O=C1[C@@H](C/C=C\CC)[C@@H](CCCCCC(O)=O)C=C1
DIOS-ARG (TRIFLUOROACETATE SALT)
CAS:1807353-31-6
Formula: C39H67N5O5 • 2CF3COO
25945
[H][C@]12[C@]3([H])CC=C4C[C@@H](OC(CCCCCNC([C@@H]([NH3+])CCCNC(N)=[NH2+])=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@]1(C)[C@]5([H])[C@](O[C@@]6(OC[C@H](C)CC6)[C@H]5C)([H])C2.[O-]C(C(F)(F)F)=O.[O-]C(C(F)(F)F)=O
DL-2,6-DIMETHYL HEPTANOIC ACID
CAS:7494-12-4
Formula: C9H18O2
24822
OC(C(C)CCCC(C)C)=O
DLin-DMA
CAS:871258-12-7
Formula: C41H77NO2
36701
CCCCC/C=C\C/C=C\CCCCCCCCOCC(CN(C)C)OCCCCCCCC/C=C\C/C=C\CCCCC
DLIN-KC2-DMA
CAS:1190197-97-7
Formula: C43H79NO2
34363
CCCCC/C=C\C/C=C\CCCCCCCCC1(OC(CCN(C)C)CO1)CCCCCCCC/C=C\C/C=C\CCCCC
DNCA
CAS:2226561-66-4
Formula: C45H82N4O4
38554
NC1=NC(N(CC(NCC(COCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC)=O)C=C1)=O
DOCOSAHEXAENOIC ACID
CAS:6217-54-5
Formula: C22H32O2
90310
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
DOCOSAHEXAENOIC ACID ETHYL ESTER
CAS:81926-94-5
Formula: C24H36O2
9.09031e+006
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(OCC)=O
DOCOSAHEXAENOIC ACID METHYL ESTER
CAS:2566-90-7
Formula: C23H34O2
1.00069e+007
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC
DOCOSAHEXAENOIC ACID-D5
CAS:1197205-71-2
Formula: C22H27D5O2
1.00051e+007
[2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)=O
DOCOSAHEXAENOYL ETHANOLAMIDE
CAS:162758-94-3
Formula: C24H37NO2
1.00075e+007
OCCNC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
DOCOSAHEXAENOYL GLYCINE
CAS:132850-40-9
Formula: C24H35NO3
9.00033e+006
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCC(=O)O
Docosahexaenoyl Serinol
CAS:1638355-62-0
Formula: C25H39NO3
35678
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(NC(CO)CO)=O
DOCOSAHEXAENOYL SEROTONIN
CAS:283601-58-1
Formula: C32H42N2O2
9.00064e+006
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(NCCC1=CNC2=CC=C(O)C=C12)=O
Docosahexaenoyl-L-carnitine (chloride)
Formula: C29H46NO4 • Cl
38350
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O[C@@H](C[N+](C)(C)C)CC(O)=O)=O.[Cl-]
DOCOSAPENTAENOIC ACID
CAS:24880-45-3
Formula: C22H34O2
90165
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
DOCOSAPENTAENOIC ACID METHYL ESTER
CAS:108698-02-8
Formula: C23H36O2
9.00187e+006
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(OC)=O
DOCOSAPENTAENOIC ACID-D5
CAS:1215168-70-9
Formula: C22H29D5O2
20913
[2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(O)=O
DOCOSATETRAENOYL ETHANOLAMIDE
CAS:150314-35-5
Formula: C24H41NO2
90385
O=C(N([H])CCO)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
DOCOSATRIENOIC ACID METHYL ESTER
CAS:108698-01-7
Formula: C23H40O2
20567
CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(OC)=O
Dodecyltrimethylammonium (bromide)
CAS:1119-94-4
Formula: C15H34N • Br
37009
C[N+](C)(CCCCCCCCCCCC)C.[Br-]
DOPAL
CAS:5707-55-1
Formula: C8H8O3
18448
OC1=C(O)C=CC(CC([H])=O)=C1
DOXEPIN (HYDROCHLORIDE)
CAS:1229-29-4
Formula: C19H21NO • HCl
15888
CN(C)CC/C=C1C2=C(C=CC=C2)COC3=C/1C=CC=C3.Cl
DSRM-3716
CAS:58142-99-7
Formula: C9H6IN
39517
IC1=CC=CC2=C1C=CN=C2
Dth
Formula: C30H29F2N5O6
38925
FC1=C(O)C(F)=CC(/C=C2N=C(C)N(CCCCCCNC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)C\2=O)=C1
DYCLONINE (HYDROCHLORIDE)
CAS:536-43-6
Formula: C18H27NO2 • HCl
27667
O=C(C1=CC=C(OCCCC)C=C1)CCN2CCCCC2.Cl
EICOSAPENTAENOIC ACID
CAS:10417-94-4
Formula: C20H30O2
90110
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
EICOSAPENTAENOIC ACID (PEROXIDE FREE)
CAS:10417-94-4
Formula: C20H30O2
90110.1
CC\C=C/C\C=C/C\C=C/C\C=C/C/C=C\CCCC(O)=O
EICOSAPENTAENOIC ACID ETHYL ESTER
CAS:86227-47-6
Formula: C22H34O2
1.00089e+007
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OCC)=O
EICOSAPENTAENOIC ACID METHYL ESTER
CAS:2734-47-6
Formula: C21H32O2
9.0003e+006
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(OC)=O
EICOSAPENTAENOIC ACID-D5
CAS:1197205-73-4
Formula: C20H25D5O2
1.00051e+007
[2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O
EICOSAPENTAENOYL 1-PROPANOL-2-AMIDE
CAS:1638355-66-4
Formula: C23H37NO2
17547
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(NC(CO)C)=O
EICOSAPENTAENOYL ETHANOLAMIDE
CAS:109001-03-8
Formula: C22H35NO2
10964
O=C(NCCO)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
EICOSAPENTAENOYL SEROTONIN
CAS:199875-71-3
Formula: C30H40N2O2
9.00064e+006
O=C(NCCC1=CNC2=CC=C(O)C=C12)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Eicosapentaenoyl-L-carnitine (chloride)
CAS:2133456-02-5
Formula: C27H44NO4 • Cl
9.00392e+006
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(O[C@H](CC(O)=O)C[N+](C)(C)C)=O.[Cl-]
ELOVL1-22
CAS:2761063-99-2
Formula: C21H23N5O2
36142
N1(C2=NC=NC(O[C@H]3C[C@@H](N4C=CC=N4)C3)=C2)C[C@H](C5=CC=CC=C5)OCC1
EMPO
CAS:61856-99-3
Formula: C8H13NO3
20618
[O-][N+]1=CCCC1(C)C(OCC)=O
EPRINOMECTIN
CAS:123997-26-2
Formula: C50H75NO14 (for B1a)
28182
C/C([C@@H](O[C@@]1([H])C[C@H](OC)[C@@H](O[C@]2([H])O[C@@H](C)[C@@H](NC(C)=O)[C@@H](OC)C2)[C@H](C)O1)[C@@H](C)/C=C/C=C(CO3)/[C@@]([C@@]3([H])[C@H](O)C(C)=C4)(O)[C@]4([H])C5=O)=C\C[C@]6([H])C[C@@](O5)([H])C[C@]7(C=C[C@H](C)[C@]([C@H](CC)C)([H])O7)O6.C/C([C@
ESCITALOPRAM
CAS:128196-01-0
Formula: C20H21FN2O
22405
CN(C)CCC[C@@]1(C2=CC=C(F)C=C2)OCC3=CC(C#N)=CC=C31
ETHOPROP
CAS:13194-48-4
Formula: C8H19O2PS2
27609
CCCSP(SCCC)(OCC)=O
Ethoprop-d6
CAS:2733774-72-4
Formula: C8H13D6O2PS2
39601
O=P(SCCC([2H])([2H])[2H])(OCC)SCCC([2H])([2H])[2H]
ETODOLAC
CAS:41340-25-4
Formula: C17H21NO3
20833
CCC1(CC(O)=O)OCCC2=C1NC3=C2C=CC=C3CC
FALCARINOL
CAS:21852-80-2
Formula: C17H24O
22407
CCCCCCC/C=C\CC#CC#C[C@H](O)C=C
FARNESYL PYROPHOSPHATE (AMMONIUM SALT)
CAS:116057-57-9
Formula: C15H25O7P2 • 3NH4
63250
C/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(OP([O-])([O-])=O)([O-])=O.[NH4+].[NH4+].[NH4+]
FARNESYL THIOSALICYLIC ACID AMIDE
CAS:1092521-74-8
Formula: C22H31NOS
13175
C\C(CC/C=C(CC/C=C(C)\C)\C)=C/CSC1=C(C(N)=O)C=CC=C1
FENBUFEN
CAS:36330-85-5
Formula: C16H14O3
28851
O=C(CCC(O)=O)C(C=C1)=CC=C1C2=CC=CC=C2
FENVALERATE
CAS:51630-58-1
Formula: C25H22ClNO3
29399
O=C(C(C1=CC=C(Cl)C=C1)C(C)C)OC(C#N)C2=CC=CC(OC3=CC=CC=C3)=C2
FKGK 11
CAS:1071000-98-0
Formula: C13H13F5O
13179
O=C(C(F)(F)C(F)(F)F)CCCCC1=CC=CC=C1
Flonicamid-15N,18O
CAS:2483830-60-8
Formula: C9H6F3N2[15N][18O]
39578
FC(F)(C1=C(C([15NH]CC#N)=[18O])C=NC=C1)F
FLUFENAMIC ACID
CAS:530-78-9
Formula: C14H10F3NO2
21447
OC(C1=C(NC2=CC=CC(C(F)(F)F)=C2)C=CC=C1)=O
FLUPHENAZINE (HYDROCHLORIDE)
CAS:146-56-5
Formula: C22H26F3N3OS • 2HCl
23555
OCCN1CCN(CCCN2C(C=CC=C3)=C3SC4=C2C=C(C(F)(F)F)C=C4)CC1.Cl.Cl
FLUPHENAZINE DECANOATE
CAS:5002-47-1
Formula: C32H44F3N3O2S
39903
O=C(CCCCCCCCC)OCCN1CCN(CCCN2C3=C(SC4=CC=C(C(F)(F)F)C=C42)C=CC=C3)CC1
FLUPROSTENOL
CAS:54276-17-4
Formula: C23H29F3O6
16768
O[C@@H]1[C@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@@H](O)COC2=CC=CC(C(F)(F)F)=C2)[C@H](O)C1
FMOC-L-LYS[OCT-(OTBU)-GLU-(OTBU)-AEEA-AEEA]-OH
CAS:1662688-20-1
Formula: C64H101N5O16
40707
O=C(OCC1C2=CC=CC=C2C3=CC=CC=C31)N[C@@H](CCCCNC(COCCOCCNC(COCCOCCNC(CC[C@H](NC(CCCCCCCCCCCCCCCCC(OC(C)(C)C)=O)=O)C(OC(C)(C)C)=O)=O)=O)=O)C(O)=O
FOMEPIZOLE
CAS:7554-65-6
Formula: C4H6N2
17851
CC1=CNN=C1
FTT5
CAS:2803606-43-9
Formula: C120H222N6O15
37413
O=C(NCCCN(CCCCCCCCC(OC(CCCCC)CC)=O)CCCCCCCCC(OC(CCCCC)CC)=O)C1=CC(C(NCCCN(CCCCCCCCC(OC(CCCCC)CC)=O)CCCCCCCCC(OC(CCCCC)CC)=O)=O)=CC(C(NCCCN(CCCCCCCCC(OC(CCCCC)CC)=O)CCCCCCCCC(OC(CCCCC)CC)=O)=O)=C1
FUMONISIN B2-13C34
CAS:1217481-36-1
Formula: [13C]34H59NO14
31273
O=[13C](O[13C@@H]([13CH2][13C@H]([13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C@H]([13CH2][13C@@H]([13C@H]([13CH3])N)O)O)[13CH3])[13C@@H]([13C@H]([13CH3])[13CH2][13CH2][13CH2][13CH3])O[13C]([13CH2][13C@H]([13C](O)=O)[13CH2][13C](O)=O)=O)[13CH2][13C@H]([13
FUMONISIN B3-13C34
Formula: [13C]34H59NO14
31274
O=[13C](O[13C@@H]([13CH2][13C@H]([13CH2][13C@@H]([13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C@@H]([13C@H]([13CH3])N)O)O)[13CH3])[13C@@H]([13C@H]([13CH3])[13CH2][13CH2][13CH2][13CH3])O[13C]([13CH2][13C@H]([13C](O)=O)[13CH2][13C](O)=O)=O)[13CH2][13C@H]([1
GADOLEIC ACID
CAS:29204-02-2
Formula: C20H38O2
33186
CCCCCCCCCC/C=C\CCCCCCCC(O)=O
GERANYLGERANYL PYROPHOSPHATE (AMMONIUM SALT)
CAS:313263-08-0
Formula: C20H33O7P2 • 3NH4
63330
C/C(CC/C=C(C)\C)=C\CC/C(C)=C/CC/C(C)=C/COP(OP([O-])([O-])=O)([O-])=O.[NH4+].[NH4+].[NH4+]
GINGERENONE A
CAS:128700-97-0
Formula: C21H24O5
36841
COC(C=C1CC/C=C/C(CCC2=CC(OC)=C(C=C2)O)=O)=C(C=C1)O
GLIMEPIRIDE
CAS:93479-97-1
Formula: C24H34N4O5S
12090
O=S(C1=CC=C(CCNC(N2C(C(CC)=C(C)C2)=O)=O)C=C1)(NC(N[C@H]3CC[C@H](C)CC3)=O)=O
GPP 78
CAS:1202580-59-3
Formula: C27H29N5O
13670
O=C(NC1=C(C2=CC=CC=C2)C=CC=C1)CCCCCCCN3N=NC(C4=CC=CN=C4)=C3
GUANOSINE
CAS:118-00-3
Formula: C10H13N5O5
27702
O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2NC(N)=NC3=O)O[C@@H]1CO
HDAC6 INHIBITOR
CAS:1259296-46-2
Formula: C16H17N3O3
15200
O=C(NO)C1=CC(CCN(C(C2=CC=CN2C)=O)C3)=C3C=C1
HENEICOSAPENTAENOIC ACID
CAS:24257-10-1
Formula: C21H32O2
10670
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(O)=O
HEPC
CAS:60793-01-3
Formula: C23H48NO5PS
1.00067e+007
CCCCCCCCCCCCCCCC(SCCOP([O-])(OCC[N+](C)(C)C)=O)=O
HEPTAFLUOROBUTYRIC ACID
CAS:375-22-4
Formula: C4HF7O2
37234
O=C(C(F)(C(F)(C(F)(F)F)F)F)O
HEPTANOIC ACID
CAS:111-14-8
Formula: C7H14O2
33672
O=C(CCCCCC)O
HEPTANOYL THIO-PC
Formula: C31H64NO6PS
1.00068e+007
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N](C)(C)C)SC(=O)CCCCCC
HEXADECYL METHYL GLYCEROL
CAS:96960-92-8
Formula: C20H42O3
60930
CCCCCCCCCCCCCCCCOCC(CO)OC
HISTAMINE
CAS:51-45-6
Formula: C5H9N3
33828
NCCC1=CN=CN1
HPF
CAS:359010-69-8
Formula: C26H16O6
10159
OC(C=C1)=CC=C1OC2=CC3=C(C=C2)C4(C(C=CC=C5)=C5C(O4)=O)C6=CC=C(O)C=C6O3
HT-2 TOXIN-13C22
CAS:1486469-92-4
Formula: [13C]22H32O8
31299
[13CH3][13C]1=[13CH][13C@]2([H])[13C@]([13C@]([13C@H](O)[13C@H]3O)([13CH3])[13C@]4([13CH2]O4)[13C@]3([H])O2)([13CH2]O[13C]([13CH3])=O)[13CH2][13C@@H]1O[13C]([13CH2][13CH]([13CH3])[13CH3])=O
HU-210 (EXEMPT PREPARATION)
CAS:112830-95-2
Formula: C25H38O3
90083
OCC1=CC[C@](C(C)(C)OC2=C3C(O)=CC(C(C)(C)CCCCCC)=C2)([H])[C@@]3([H])C1
HU-308
CAS:256934-39-1
Formula: C27H42O3
90086
CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)C1C=C(CO)C2CC1C2(C)C
HYDROXY LINOLEINS
89420
CCCCC/C=C\C=C/C(O)CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C=C/C(O)CCCCC)OC(=O)CCCCCCC/C=C\C=C/C(O)CCCCC
I-CBP112
CAS:1640282-31-0
Formula: C27H36N2O5
36811
COC1=C(OC)C=C(C2=CC(OC[C@H]3CCCN(C)C3)=C(OCCN(C(CC)=O)C4)C4=C2)C=C1
IBERIN
CAS:505-44-2
Formula: C5H9NOS2
14016
CS(CCCN=C=S)=O
IDFP
CAS:615250-02-7
Formula: C15H32FO2P
10215
CCCCCCCCCCCCP(=O)(F)OC(C)C
ILOPROST
CAS:78919-13-8
Formula: C22H32O4
18215
O[C@@H]1C[C@H](C/2)[C@H](CC2=C\CCCC(O)=O)[C@H]1/C=C/[C@@H](O)C(C)CC#CC
IMP-1088
CAS:2059148-82-0
Formula: C25H29F2N5O
25366
FC1=C(F)C=CC(C2=CC=C(N(C)N=C3CN(C)C)C3=C2)=C1OCCC4=C(C)N(C)N=C4C
INDOMETHACIN HEPTYL ESTER
CAS:282728-47-6
Formula: C26H30ClNO4
70271
ClC1=CC=C(C(N2C(C=CC(OC)=C3)=C3C(CC(OCCCCCCC)=O)=C2C)=O)C=C1
IODONITROTETRAZOLIUM (CHLORIDE)
CAS:146-68-9
Formula: C19H13IN5O2 • Cl
16073
IC(C=C1)=CC=C1[N+]2=NC(C3=CC=CC=C3)=NN2C4=CC=C([N+]([O-])=O)C=C4.[Cl-]
IONOMYCIN
CAS:56092-81-0
Formula: C41H72O9
1.0005e+007
C[C@@H](O)[C@](O1)(C)CC[C@]1([H])[C@]2(C)CCC(C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C[C@@H](C)C[C@@H](C)/C(O)=C/C([C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O)=O)O2
ISOBORNEOL
CAS:124-76-5
Formula: C10H18O
23177
C[C@]1(C2(C)C)CC[C@@H]2C[C@H]1O
ISOSAFROLE
CAS:120-58-1
Formula: C10H10O2
17782
C/C=C/C1=CC(OCO2)=C2C=C1
ISOTACHYSTEROL 3
CAS:22350-43-2
Formula: C27H44O
35751
C[C@@]12C(CC[C@]2([H])[C@H](C)CCCC(C)C)=C(CCC1)/C=C/C3=C(CC[C@@H](C3)O)C
JMV3002
CAS:925239-03-8
Formula: C35H34N6O3
1.00127e+007
COc1ccc(Cn2c(CCc3ccccc3)nnc2C(NC(=O)c2ccccn2)Cc2c[nH]c3ccccc23)c(OC)c1
JNJ-5207852
CAS:398473-34-2
Formula: C20H32N2O
11998
N1(CC2=CC=C(OCCCN3CCCCC3)C=C2)CCCCC1
JWH 007
CAS:155471-10-6
Formula: C25H25NO
10266
O=C(C1=C(C)N(CCCCC)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4
JWH 016-D9
CAS:2748469-65-8
Formula: C24H14D9NO
20850
O=C(C1=C(C)N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4
JWH 018 (EXEMPT PREPARATION)
CAS:209414-07-3
Formula: C24H23NO
13169
CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
JWH 022
CAS:209414-16-4
Formula: C24H21NO
9.00106e+006
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCCC=C)C4=CC=CC=C43
JWH 030
CAS:162934-73-8
Formula: C20H21NO
10831
O=C(C1=CN(CCCCC)C=C1)C2=C(C=CC=C3)C3=CC=C2
JWH 031
CAS:162934-74-9
Formula: C21H23NO
10824
O=C(C1=CN(CCCCCC)C=C1)C2=C(C=CC=C3)C3=CC=C2
JWH 073 (EXEMPT PREPARATION)
CAS:208987-48-8
Formula: C23H21NO
13170
CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
JWH 081 N-(4-HYDROXYPENTYL) METABOLITE
CAS:2748622-62-8
Formula: C25H25NO3
14348
O=C(C1=CC=C(OC)C2=C1C=CC=C2)C3=CN(CCCC(O)C)C4=C3C=CC=C4
JWH 116
CAS:619294-64-3
Formula: C26H27NO
13977
O=C(C1=C(CC)N(CCCCC)C2=C1C=CC=C2)C3=C(C=CC=C4)C4=CC=C3
JWH 133
CAS:259869-55-1
Formula: C22H32O
1.00054e+007
CCCC(C)(C)C(C=C1)=CC2=C1[C@H]3[C@H](C(C)(C)O2)CC=C(C)C3
JWH 149
CAS:548461-82-1
Formula: C26H27NO
13978
O=C(C1=C(C)N(CCCCC)C2=C1C=CC=C2)C3=C(C=CC=C4)C4=C(C)C=C3
JWH 175
CAS:619294-35-8
Formula: C24H25N
11201
CCCCCN1C2=CC=CC=C2C(CC3=CC=CC4=C3C=CC=C4)=C1
JWH 200 (EXEMPT PREPARATION)
CAS:103610-04-4
Formula: C25H24N2O2
13171
O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
JWH 200 4-HYDROXYINDOLE METABOLITE
CAS:1427325-73-2
Formula: C25H24N2O3
10744
O=C(C1=CN(CCN2CCOCC2)C3=C1C(O)=CC=C3)C4=CC=CC5=C4C=CC=C5
JWH 251 3-METHYLPHENYL ISOMER
CAS:1427325-88-9
Formula: C22H25NO
9.00102e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)CC3=CC(C)=CC=C3
JWH 251 4-METHYLPHENYL ISOMER
CAS:864445-41-0
Formula: C22H25NO
9.00102e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)CC3=CC=C(C)C=C3
JWH 309
CAS:914458-42-7
Formula: C30H27NO
10830
O=C(C1=CN(CCCCC)C(C2=CC=CC3=C2C=CC=C3)=C1)C4=C5C(C=CC=C5)=CC=C4
JWH 369
CAS:914458-27-8
Formula: C26H24ClNO
10828
O=C(C1=CN(CCCCC)C(C2=CC=CC=C2Cl)=C1)C3=C4C(C=CC=C4)=CC=C3
JWH 370
CAS:914458-22-3
Formula: C27H27NO
10827
O=C(C1=CN(CCCCC)C(C2=CC=CC=C2C)=C1)C3=C4C(C=CC=C4)=CC=C3
JWH 424
CAS:1366068-04-3
Formula: C24H22BrNO
9.0012e+006
O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=C4C(C=CC=C4Br)=CC=C3
K-TMZ
CAS:2269482-26-8
Formula: C7H7N5O2
27022
CN(N=N1)C(N2C1=C(C(C)=O)N=C2)=O
KDM5-C70
CAS:1596348-32-1
Formula: C17H28N4O3
36817
O=C(C1=CC=NC(CNCC(N(CCN(C)C)CC)=O)=C1)OCC
KETOCONAZOLE
CAS:65277-42-1
Formula: C26H28Cl2N4O4
15212
CC(N1CCN(C2=CC=C(OC[C@@H]3O[C@](C4=CC=C(Cl)C=C4Cl)(CN5C=CN=C5)OC3)C=C2)CC1)=O
KETOROLAC (TROMETHAMINE SALT)
CAS:74103-07-4
Formula: C15H12NO3 • C4H12NO3
70690
O=C(C1=CC=C2N1CCC2C([O-])=O)C3=CC=CC=C3.[NH3+]C(CO)(CO)CO
KLH45
CAS:1632236-44-2
Formula: C24H25F3N4O2
19889
O=C(N(C1CCCCC1)CCC2=CC=CC=C2)N3N=C(C4=CC=C(OC(F)(F)F)C=C4)C=N3
KODIA-PC
CAS:439904-33-3
Formula: C32H58NO11P
62945
O=P([O-])(OCC[N+](C)(C)C)OC[C@H](OC(CCCC(/C=C/C(O)=O)=O)=O)COC(CCCCCCCCCCCCCCC)=O
L-319
CAS:1351586-50-9
Formula: C41H75NO6
35051
CN(C)CCCC(OC(CCCCCCCC(OC/C=C\CCCCCC)=O)CCCCCCCC(OC/C=C\CCCCCC)=O)=O
L-759,633
CAS:174627-50-0
Formula: C26H40O2
1.00093e+007
CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)C[C@@H]21
L-902,688
CAS:634193-54-7
Formula: C21H27F2N5O2
1.00077e+007
[H]N1C(CCCCCCN2[C@@H](/C=C/[C@](O)([H])C(F)(F)C3=CC=CC=C3)CCC2=O)=NN=N1
L-A-HYDROXYGLUTARIC ACID
CAS:13095-48-2
Formula: C5H8O5
21123
OC(CC[C@H](O)C(O)=O)=O
L-SULFORAPHANE
CAS:142825-10-3
Formula: C6H11NOS2
14797
C[S@](CCCCN=C=S)=O
L202
CAS:2170488-92-1
Formula: C41H79NO4
37841
CCCCCC(CCCCC)CCOC(CCCCCCCCC(COC(C1CCN(CC1)C)=O)CCCCCCCCCC)=O
LATANOPROST
CAS:130209-82-4
Formula: C26H40O5
16812
O[C@@H]1[C@H](C/C=C\CCCC(OC(C)C)=O)[C@@H](CC[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C1
LATANOPROST (FREE ACID)
CAS:41639-83-2
Formula: C23H34O5
16811
O[C@@H]1[C@H](C/C=C\CCCC(O)=O)[C@@H](CC[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C1
LATANOPROST (FREE ACID)-D4
CAS:1224443-47-3
Formula: C23H30D4O5
316811
O[C@@H]1[C@H](C/C=C\C([2H])([2H])C([2H])([2H])CC(O)=O)[C@@H](CC[C@@H](O)CCC2=CC=CC=C2)[C@H](O)C1
LATANOPROSTENE BUNOD
CAS:860005-21-6
Formula: C27H41NO8
25830
O[C@@H]1[C@H](C/C=C\CCCC(OCCCCO[N+]([O-])=O)=O)[C@@H](CC[C@H](CCC2=CC=CC=C2)O)[C@H](O)C1
LAURIC ACID ETHYL ESTER
CAS:106-33-2
Formula: C14H28O2
1.00082e+007
CCCCCCCCCCCC(=O)OCC
LAURIC ACID LEELAMIDE
Formula: C32H53NO
1.00086e+007
CC(C)C(C=C1)=CC2=C1[C@]3(C)[C@](CC2)([H])[C@](C)(CNC(CCCCCCCCCCC)=O)CCC3
LAURIC ACID METHYL ESTER
CAS:111-82-0
Formula: C13H26O2
20608
CCCCCCCCCCCC(OC)=O
LEPTOMYCIN A
CAS:87081-36-5
Formula: C32H46O6
21762
O=C1O[C@@H](/C=C/C(C)=C\[C@H](C)C/C=C/C(C)=C/[C@H](C([C@H]([C@@H]([C@H](C/C(C)=C/C(O)=O)C)O)C)=O)C)[C@@H](C)C=C1
LEUKOTRIENE B5
CAS:80445-66-5
Formula: C20H30O4
21110
CC/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O
LINOELAIDIC ACID
CAS:506-21-8
Formula: C18H32O2
90160
CCCCC\C=C\C\C=C\CCCCCCCC(=O)O
LINOLEIC ACID ALKYNE
CAS:1219038-31-9
Formula: C18H28O2
10541
C#CCCC/C=C\C/C=C\CCCCCCCC(O)=O
LINOLEIC ACID ETHYL ESTER
CAS:544-35-4
Formula: C20H36O2
1.00082e+007
CCCCC/C=C\C/C=C\CCCCCCCC(OCC)=O
Linoleic Acid glycidyl ester
CAS:24305-63-3
Formula: C21H36O3
36840
CCCCC/C=C\C/C=C\CCCCCCCC(OCC1CO1)=O
LINOLEIC ACID METHYL ESTER
CAS:112-63-0
Formula: C19H34O2
20603
CCCCC/C=C\C/C=C\CCCCCCCC(OC)=O
LINOLEIN HYDROPEROXIDES
89430
CCCCC(OO)/C=C/C=C\CCCCCCCC(OC[C@@H](OC(CCCCCCC/C=C\C=C\C(OO)CCCC)=O)COC(CCCCCCCC(OO)/C=C/C=C\CCCCC)=O)=O
LINOLEOYL ETHANOLAMIDE
CAS:68171-52-8
Formula: C20H37NO2
90155
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO
LINOLEOYL ETHANOLAMIDE-D4
CAS:1451194-69-6
Formula: C20H33D4NO2
9.00055e+006
O=C(NC([2H])([2H])C([2H])([2H])O)CCCCCCC\C=C/C/C=C\CCCCC
LINOLEOYL PHENYLALANINE
CAS:2441-64-7
Formula: C27H41NO3
20063
CCCCC/C=C\C/C=C\CCCCCCCC(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O
Lipid 14
CAS:2430034-05-0
Formula: C56H110N2O6
38589
O=C(OCCCCCCCCN(CCOC(CCCN(C)C)=O)CCCCCCCCOC(C(CCCCCC)CCCCCCCC)=O)C(CCCCCC)CCCCCCCC
Lipid 2,2(8,8) 4C CH3
CAS:2230647-30-8
Formula: C37H70N2O5S
37910
O=C(SCCCCN(C)C)N(CC(OC/C=C\CCCCCC)=O)CC(OC(CCCCCCCC)CCCCCCCC)=O
Lipid 222
CAS:2985009-46-7
Formula: C52H103NO5
38338
OCCCCN(CCCCCCCCOC(C(CCCCCC)CCCCCCCC)=O)CCCCCCCCOC(C(CCCCCC)CCCCCCCC)=O
LIPID 29
CAS:2244716-55-8
Formula: C52H97N3O6
35337
CNC(C(C1=O)=O)=C1NCCCN(CCCCCCCC(OC(CCCCCCCC)CCCCCCCC)=O)CCCCCCCC(OC(CC)CCCCCCCC)=O
LIPID 5
CAS:2089251-33-0
Formula: C44H87NO5
34372
OCCN(CCCCCCCC(OC(CCCCCCCC)CCCCCCCC)=O)CCCCCCCC(OCCCCCCCCC)=O
Lipid 8
CAS:2226547-25-5
Formula: C44H82N2O2
38746
CN(C)CCCC(OCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)=O
Lipid A6
Formula: C43H75NO6
35052
CN(C)CCCC(OC(CCCCCCCC(OCCC#CCCCCCC)=O)CCCCCCCC(OCCC#CCCCCCC)=O)=O
Lipid A9
CAS:2036272-50-9
Formula: C57H112N2O5
37667
O=C(CCCCCCCCC(CCCCCCCCC(OCC(CCCCCC)CCCC)=O)N(CCCN(C)C)C(CCCCCCCC)=O)OCC(CCCCCC)CCCC
Lipid AX4
CAS:2735814-23-8
Formula: C83H155N3O16
39070
CN(CCCN(CCC(OCCCCOC(C(CCCCCC)CCCC)=O)=O)CCC(OCCCCOC(C(CCCCCC)CCCC)=O)=O)CCCN(CCC(OCCCCOC(C(CCCCCC)CCCC)=O)=O)CCC(OCCCCOC(C(CCCCCC)CCCC)=O)=O
Lipid CL1
CAS:1450888-71-7
Formula: C39H73NO2
38320
O=C(CCCCN(C)C)OC(CCC/C=C\CCCCC)C(CCC/C=C\CCCCC)CCC/C=C\CCCCC
Lipid III-45
CAS:2096984-25-5
Formula: C45H89NO5
39243
OCCCN(CCCCCCCCCOC(C(CCCC)CCCCCC)=O)CCCCCCCCCOC(C(CCCC)CCCCCC)=O
Lipid R6
Formula: C35H73N3O
39130
O=C(NCCCCCCCCCCC)C(NCCCN(CC)CC)CCCCCCCCCCCCCCC
LIPOXIN A4
CAS:89663-86-5
Formula: C20H32O5
90410
CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(O)=O
LP-01
CAS:1799316-64-5
Formula: C50H93NO9
37278
CCCCCCCCOC(OCCCCCCCC)CCC(OCC(COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(OCCCN(CC)CC)=O)=O
LUBIPROSTONE
CAS:136790-76-6
Formula: C20H32F2O5
1.00105e+007
O=C1[C@H](CCCCCCC(O)=O)[C@@H]2[C@H](OC(O)C(C(F)(F)CCCC)C2)C1
LY293111
CAS:161172-51-6
Formula: C33H33FO6
1.00098e+007
CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(F)cc2)cccc1Oc1ccccc1C(=O)O
Malachite Green (chloride)
CAS:569-64-2
Formula: C23H25N2 • Cl
37395
CN(C)C(C=C1)=CC=C1/C(C2=CC=CC=C2)=C3C=C/C(C=C/3)=[N+](C)/C.[Cl-]
MALATHION-D10
CAS:347841-48-9
Formula: C10H9D10O6PS2
39561
O=C(C(SP(OC)(OC)=S)CC(OC([2H])([2H])C([2H])([2H])[2H])=O)OC([2H])([2H])C([2H])([2H])[2H]
MAM2201 N-(5-CHLOROPENTYL) ANALOG-D5
CAS:2748212-99-7
Formula: C25H19D5ClNO
12052
O=C(C1=CC=C(C)C2=C1C=CC=C2)C3=C([2H])N(CCCCCCl)C4=C3C([2H])=C([2H])C([2H])=C4[2H]
MENTHONE
CAS:10458-14-7
Formula: C10H18O
34683
O=C1CC(CCC1C(C)C)C
MESORIDAZINE
CAS:5588-33-0
Formula: C21H26N2OS2
31370
O=S(C)C1=CC=C2SC3=C(N(CCC4N(CCCC4)C)C2=C1)C=CC=C3O=S(C)C1=CC=C2SC3=C(N(CCC4N(CCCC4)C)C2=C1)C=CC=C3
METHYL ARACHIDONYL FLUOROPHOSPHONATE
CAS:188404-10-6
Formula: C21H36FO2P
70660
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(F)(OC)=O
METHYLCARBAMYL PAF C-16
CAS:91575-58-5
Formula: C26H55N2O7P
60908
CCCCCCCCCCCCCCCCOC[C@@H](OC(NC)=O)COP(OCC[N+](C)(C)C)([O-])=O
METHYLISOTHIAZOLINONE
CAS:2682-20-4
Formula: C4H5NOS
28136
CN1SC=CC1=O
MGR1
CAS:2361529-46-4
Formula: C22H24O5
27499
O=C1C2C(C3C=CC2CC3)C(C4=C(OCOC(C(C)(C)C)=O)C=CC=C41)=O
MGR2
CAS:2361529-47-5
Formula: C16H18O3
27575
O=C(C(C)(C)C)OCOC1=C(C=CC=C2)C2=CC=C1
MISOPROSTOL
CAS:59122-46-2
Formula: C22H38O5
13820
CCCCC(C)(O)C/C=C/[C@H]([C@H]1CCCCCCC(OC)=O)[C@H](O)CC1=O
MISOPROSTOL (FREE ACID)
CAS:112137-89-0
Formula: C21H36O5
13821
O[C@H]1[C@H](/C=C/CC(C)(O)CCCC)[C@@H](CCCCCCC(O)=O)C(C1)=O
MITOQUINONE (MESYLATE)
CAS:845959-50-4
Formula: C37H44O4P • CH3O3S
29317
O=C(C(OC)=C1OC)C(CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=C(C)C1=O.O=S(C)([O-])=O
Molindone (hydrochloride)
CAS:15622-65-8
Formula: C16H24N2O2 • HCl
23841
O=C1C2=C(NC(C)=C2CC)CCC1CN3CCOCC3.Cl
MRS1523
CAS:212329-37-8
Formula: C23H29NO3S
17128
CCCOC(C1=C(CCC)C(C(SCC)=O)=C(CC)N=C1C2=CC=CC=C2)=O
MUSCONE
CAS:541-91-3
Formula: C16H30O
16067
O=C1CCCCCCCCCCCCC(C)C1
MYRISTELAIDIC ACID
CAS:50286-30-1
Formula: C14H26O2
22361
OC(CCCCCCC/C=C/CCCC)=O
MYRISTIC ACID ETHYL ESTER
CAS:124-06-1
Formula: C16H32O2
1.00082e+007
CCCCCCCCCCCCCC(OCC)=O
MYRISTIC ACID METHYL ESTER
CAS:124-10-7
Formula: C15H30O2
9.00187e+006
CCCCCCCCCCCCCC(OC)=O
MYRISTICIN
CAS:607-91-0
Formula: C11H12O3
15201
COC1=CC(CC=C)=CC2=C1OCO2
MYRISTOLEIC ACID
CAS:544-64-9
Formula: C14H26O2
9.00246e+006
OC(CCCCCCC/C=C\CCCC)=O
MYRISTOLEIC ACID METHYL ESTER
CAS:56219-06-8
Formula: C15H28O2
1.00086e+007
CCCC/C=C\CCCCCCCC(OC)=O
N-(3-HYDROXYPHENYL)-ARACHIDONOYL AMIDE
CAS:183718-75-4
Formula: C26H37NO2
1.00077e+007
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1cccc(O)c1
N-(A-LINOLENOYL) TYROSINE
CAS:259143-19-6
Formula: C27H39NO4
10032
CC/C=C\C/C=C\C/C=C\CCCCCCCC(N([C@H](C(O)=O)CC1=CC=C(O)C=C1)[H])=O
N-[1-(2,3-DIOLEYLOXY)PROPYL]-N,N,N-TRIMETHYLAMMONIUM (CHLORIDE)
CAS:104162-48-3
Formula: C42H84NO2 • Cl
25926
CCCCCCCC/C=C\CCCCCCCCOC(C[N+](C)(C)C)COCCCCCCCC/C=C\CCCCCCCC.[Cl-]
N-3-OXO-HEXADEC-11(Z)-ENOYL-L-HOMOSERINE LACTONE
CAS:1269663-80-0
Formula: C20H33NO4
1.00112e+007
O=C1[C@@H](NC(CC(CCCCCCC/C=C\CCCC)=O)=O)CCO1
N-3-OXO-TETRADEC-7(Z)-ENOYL-L-HOMOSERINE LACTONE
CAS:482598-46-9
Formula: C18H29NO4
13213
O=C1[C@@H](NC(CC(CCC/C=C\CCCCCC)=O)=O)CCO1
N-ACETYL-S-GERANYLGERANYL-L-CYSTEINE
CAS:139332-94-8
Formula: C25H41NO3S
63340
CC(N([C@H](C(O)=O)CSC/C=C(C)/CC/C=C(CC/C=C(C)/CC/C=C(C)/C)\C)[H])=O
N-ARACHIDONOYL DOPAMINE
CAS:199875-69-9
Formula: C28H41NO3
90057
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1
N-ARACHIDONOYL-?-AMINOBUTYRIC ACID
CAS:128201-89-8
Formula: C24H39NO3
90067
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)O
N-ARACHIDONOYL-3-HYDROXY-?-AMINOBUTYRIC ACID
CAS:959761-62-7
Formula: C24H39NO4
10158
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(N([H])CC(CC(O)=O)O)=O
N-ARACHIDONOYL-L-ALANINE
CAS:401941-73-9
Formula: C23H37NO3
90065
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(N([C@@H](C)C(O)=O)[H])=O
N-ARACHIDONOYL-L-SERINE
CAS:187224-29-9
Formula: C23H37NO4
1.00055e+007
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)C(=O)O
N-DOCOSAHEXAENOYL DOPAMINE
CAS:129024-87-9
Formula: C30H41NO3
9.00139e+006
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(NCCC1=CC=C(O)C(O)=C1)=O
N-DODECANOYL-L-HOMOSERINE LACTONE-3-HYDRAZONE-BIOTIN
Formula: C26H43N5O5S
9.00071e+006
O=C1[C@@H](NC(C/C(CCCCCCCCC)=N/NC(CCCCC2C(NC(N3)=O)C3CS2)=O)=O)CCO1
N-FORMYLMETHAMPHETAMINE
CAS:42932-20-7
Formula: C11H15NO
15634
CC(N(C)C([H])=O)CC1=CC=CC=C1
N-NITROSO-N-ETHYLANILINE
CAS:612-64-6
Formula: C8H10N2O
21063
CCN(N=O)C1=CC=CC=C1
N-NITROSO-N-METHYLANILINE
CAS:614-00-6
Formula: C7H8N2O
35563
O=NN(C)C1=CC=CC=C1
N-OLEOYL ALANINE
CAS:745733-78-2
Formula: C21H39NO3
20368
CCCCCCCC/C=C\CCCCCCCC(N[C@@H](C)C(O)=O)=O
N-OLEOYL-L-SERINE
CAS:107743-37-3
Formula: C21H39NO4
13058
CCCCCCCC/C=C\CCCCCCCC(N[C@H](C(O)=O)CO)=O
N-PALMITOYL DOPAMINE
CAS:136181-87-8
Formula: C24H41NO3
1.00077e+007
CCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)c(O)c1
N-STEAROYL TAURINE
CAS:63155-80-6
Formula: C20H41NO4S
1.00056e+007
CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
NBD SPHINGOSINE
CAS:1449370-25-5
Formula: C24H39N5O5
25348
OC[C@H](N)[C@H](O)/C=C/CCCCCCCCCCCCCNC1=CC=C([N+]([O-])=O)C2=NON=C12
NBD-FTY720 PHENOXY (HYDROCHLORIDE)
CAS:2319882-09-0
Formula: C23H31N5O6 • HCl
16841
OCC(N)(CO)CCC1=CC=C(C=C1)OCCCCCCNC2=CC=C([N+]([O-])=O)C3=NON=C23.Cl
NERVONIC ACID METHYL ESTER
CAS:2733-88-2
Formula: C25H48O2
9.00135e+006
CCCCCCCC/C=C\CCCCCCCCCCCCCC(OC)=O
NICARDIPINE (HYDROCHLORIDE)
CAS:54527-84-3
Formula: C26H29N3O6 • HCl
17537
CC1=C(C(C(C(OCCN(CC2=CC=CC=C2)C)=O)=C(N1)C)C3=CC([N+]([O-])=O)=CC=C3)C(OC)=O.Cl
NILUTAMIDE
CAS:63612-50-0
Formula: C12H10F3N3O4
23953
O=C1N(C2=CC(C(F)(F)F)=C([N+]([O-])=O)C=C2)C(C(C)(C)N1)=O
NIMESULIDE
CAS:51803-78-2
Formula: C13H12N2O5S
70640
O=S(NC1=C(OC2=CC=CC=C2)C=C([N+]([O-])=O)C=C1)(C)=O
NIMUSTINE (HYDROCHLORIDE)
CAS:55661-38-6
Formula: C9H13ClN6O2 • HCl
31464
O=NN(CCCl)C(NCC1=CN=C(C)N=C1N)=O.Cl
NITHIAMIDE
CAS:140-40-9
Formula: C5H5N3O3S
36006
O=C(C)NC1=NC=C([N+]([O-])=O)S1
NITROSOBENZENE
CAS:586-96-9
Formula: C6H5NO
21009
O=NC1=CC=CC=C1
NITROXOLINE
CAS:4008-48-4
Formula: C9H6N2O3
28391
OC1=CC=C([N+]([O-])=O)C2=C1N=CC=C2
NONANOIC ACID METHYL ESTER
CAS:1731-84-6
Formula: C10H20O2
26719
O=C(CCCCCCCC)OC
NONIVAMIDE
CAS:2444-46-4
Formula: C17H27NO3
25328
COC1=C(O)C=CC(CNC(CCCCCCCC)=O)=C1
NORSUFENTANIL-D3
CAS:1204688-16-3
Formula: C16H21D3N2O2
9.00114e+006
O=C(CC)N(C1=CC=CC=C1)C2(COC([2H])([2H])[2H])CCNCC2
O-11
CAS:119290-12-9
Formula: C13H26O3
90510
CCCOCCCCCCCCCC(=O)O
O-1602
CAS:317321-41-8
Formula: C17H22O2
1.00068e+007
CC1=C[C@@H](C2=C(O)C=C(O)C=C2C)[C@H](C(C)=C)CC1
O-1918
CAS:536697-79-7
Formula: C19H26O2
1.00049e+007
COC1=CC(C)=CC(OC)=C1[C@H]2[C@H](C(C)=C)CCC(C)=C2
O-ARACHIDONOYL GLYCIDOL
CAS:439146-24-4
Formula: C23H36O3
1.00105e+007
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC1CO1
O-PHOSPHO-L-SERINE
CAS:407-41-0
Formula: C3H8NO6P
16151
O=C(O)[C@@H](N)COP(O)(O)=O
OC2-K3-E10
CAS:2933216-12-5
Formula: C54H111N5O7
38243
OCCN(CCC(NCCCN(CC(O)CCCCCCCC)CC(O)CCCCCCCC)=O)CCC(NCCCN(CC(O)CCCCCCCC)CC(CCCCCCCC)O)=O
OCTAHYDROCURCUMIN
CAS:36062-07-4
Formula: C21H28O6
33686
OC1=C(OC)C=C(CCC(O)CC(O)CCC2=CC(OC)=C(O)C=C2)C=C1
OCTYL-A-KETOGLUTARATE
CAS:876150-14-0
Formula: C13H22O5
11970
OC(CCC(C(OCCCCCCCC)=O)=O)=O
OF-C4-Deg-Lin
CAS:1853203-01-6
Formula: C100H176N4O10
37856
O=C(NC(C(N1)=O)CCCCN(CCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)C1CCCCN(CCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O
OLEIC ACID
CAS:112-80-1
Formula: C18H34O2
90260
CCCCCCCC/C=C\CCCCCCCC(O)=O
OLEIC ACID ALKYNE
CAS:151333-45-8
Formula: C18H30O2
9.00208e+006
C#CCCCCCC/C=C\CCCCCCCC(O)=O
OLEIC ACID ETHYL ESTER
CAS:111-62-6
Formula: C20H38O2
1.00082e+007
CCCCCCCC/C=C\CCCCCCCC(OCC)=O
OLEIC ACID METHYL ESTER
CAS:112-62-9
Formula: C19H36O2
20604
CCCCCCCC/C=C\CCCCCCCC(OC)=O
OLEIC ACID-13C
CAS:82005-44-5
Formula: C17[13C]H34O2
27869
CCCCCCCC/C=C\CCCCCCC[13C](O)=O
Oleic Acid-13C5
CAS:1255644-48-4
Formula: C13[13C]5H34O2
9.00409e+006
CCCCCCCC/C=C\[13CH2][13CH2]CCC[13CH2][13CH2][13C](O)=O
OLEIC ACID-2,6-DIISOPROPYLANILIDE
CAS:140112-65-8
Formula: C30H51NO
1.00068e+007
CC(C)C1=C(N([H])C(CCCCCCC/C=C\CCCCCCCC)=O)C(C(C)C)=CC=C1
OLEIC ANHYDRIDE
CAS:24909-72-6
Formula: C36H66O3
20825
CCCCCCCC/C=C\CCCCCCCC(OC(CCCCCCC/C=C\CCCCCCCC)=O)=O
OLEOYL ETHANOLAMIDE-D2
CAS:1245477-09-1
Formula: C20H37D2NO2
1.00078e+007
CCCCCCCC([2H])([2H])/C=C\CCCCCCCC(N([H])CCO)=O
OLEOYL SEROTONIN
CAS:1002100-44-8
Formula: C28H44N2O2
9.00063e+006
O=C(NCCC1=CNC2=CC=C(O)C=C12)CCCCCCC/C=C\CCCCCCCC
OLEOYL SEROTONIN-D17
Formula: C28H27D17N2O2
9.00069e+006
O=C(NCCC1=CNC2=CC=C(O)C=C12)CCCCCCC/C=C\C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
OLEUROPEIN AGLYCONE
CAS:31773-95-2
Formula: C19H22O8
35547
OC1=CC(CCOC(C[C@@H]2C(C(OC)=O)=CO[C@H](/C2=C/C)O)=O)=CC=C1O
OLEYL TRIFLUOROMETHYL KETONE
CAS:177987-23-4
Formula: C19H33F3O
62640
CCCCCCCC/C=C\CCCCCCCC(=O)C(F)(F)F
OLEYLOXYETHYL PHOSPHORYLCHOLINE
CAS:84601-19-4
Formula: C25H52NO5P
70560
CCCCCCCC/C=C\CCCCCCCCOCCOP([O-])(OCC[N+](C)(C)C)=O
OXY-ARACHIDONOYL ETHANOLAMIDE
CAS:883296-70-6
Formula: C22H37NO3
1.00086e+007
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NOCCO
P-CHLORO PHENYLALANINE
CAS:7424-00-2
Formula: C9H10ClNO2
26168
ClC1=CC=C(CC(N)C(O)=O)C=C1
PAF C-16 CARBOXYLIC ACID
CAS:129879-41-0
Formula: C26H52NO9P
15392
C[N+](C)(C)CCOP([O-])(OC[C@H](OC(C)=O)COCCCCCCCCCCCCCCCC(O)=O)=O
PAF C-18
CAS:74389-69-8
Formula: C28H58NO7P
60910
CCCCCCCCCCCCCCCCCCOC[C@@H](OC(C)=O)COP(OCC[N+](C)(C)C)([O-])=O
PAF C-18:1
CAS:85966-90-1
Formula: C28H56NO7P
18779
CC(O[C@@H](COP(OCC[N+](C)(C)C)([O-])=O)COCCCCCCCC/C=C\CCCCCCCC)=O
PALMITELAIDIC ACID
CAS:10030-73-6
Formula: C16H30O2
9.0018e+006
CCCCCC/C=C/CCCCCCCC(O)=O
PALMITELAIDIC ACID METHYL ESTER
CAS:10030-74-7
Formula: C17H32O2
9.0018e+006
CCCCCC/C=C/CCCCCCCC(OC)=O
PALMITIC ACID ETHYL ESTER
CAS:628-97-7
Formula: C18H36O2
1.00082e+007
CCCCCCCCCCCCCCCC(=O)OCC
PALMITOLEIC ACID METHYL ESTER
CAS:1120-25-8
Formula: C17H32O2
20605
CCCCCC/C=C\CCCCCCCC(OC)=O
PALMITOYL ETHANOLAMIDE-D4
CAS:1159908-45-8
Formula: C18H33D4NO2
1.00078e+007
OCCN([H])C(CCCCCC([2H])([2H])C([2H])([2H])CCCCCCCC)=O
PALMITOYL ETHANOLAMIDE-D4
CAS:946524-34-1
Formula: C18H33D4NO2
9.00055e+006
OC([2H])([2H])C([2H])([2H])N([H])C(CCCCCCCCCCCCCCC)=O
PALMITOYL ETHANOLAMIDE-D5
Formula: C18H32D5NO2
9.00057e+006
O=C(NCCO)CCCCCCCCCCCCCC([2H])([2H])C([2H])([2H])[2H]
PALMITYL TRIFLUOROMETHYL KETONE
CAS:141022-99-3
Formula: C17H31F3O
62650
CCCCCCCCCCCCCCCC(=O)C(F)(F)F
PARGYLINE (HYDROCHLORIDE)
CAS:306-07-0
Formula: C11H13N • HCl
1.00079e+007
CN(CC#C)CC1=CC=CC=C1.Cl
PAZ-PC
CAS:117746-89-1
Formula: C33H64NO10P
62924
O=P([O-])(OCC[N+](C)(C)C)OC[C@H](OC(CCCCCCCC(O)=O)=O)COC(CCCCCCCCCCCCCCC)=O
PB-22 N-(5-HYDROXYPENTYL)-3-CARBOXYINDOLE METABOLITE
CAS:1459236-34-0
Formula: C14H17NO3
14564
O=C(O)C1=CN(CCCCCO)C2=C1C=CC=C2
PBD-BODIPY
CAS:148185-52-8
Formula: C21H19BF2N2
27945
[F][B-]([N]1C2=CC=C1/C=C/C=C/C3=CC=CC=C3)([N+](C(C(C)=C4)=C2)=C4C)[F]
PENTADECAFLUOROOCTANOIC ACID
CAS:335-67-1
Formula: C8HF15O2
37232
O=C(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)O
PENTYLENETETRAZOLE
CAS:54-95-5
Formula: C6H10N4
18682
N12C(CCCCC2)=NN=N1
PERFLUORODECANOIC ACID
CAS:335-76-2
Formula: C10HF19O2
37244
O=C(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)F)F)O
PERFLUOROOCTANESULFONIC ACID
CAS:1763-23-1
Formula: C8HF17O3S
37233
O=S(O)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)F)=O
PERFLUOROPROPANESULFONIC ACID
CAS:423-41-6
Formula: C3HF7O3S
38156
O=S(O)(C(F)(C(F)(C(F)(F)F)F)F)=O
PERILLENE
CAS:539-52-6
Formula: C10H14O
35006
C/C(C)=C/CCC1=COC=C1
PGPC
CAS:89947-79-5
Formula: C29H56NO10P
10044
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)OC(=O)CCCC(=O)O
Phenelzine (sulfate)
CAS:156-51-4
Formula: C8H12N2 • H2SO4
23956
NNCCC1=CC=CC=C1.O=S(O)(O)=O
PHENYL CYCLOPENTYL KETONE
CAS:5422-88-8
Formula: C12H14O
31036
O=C(C1CCCC1)C2=CC=CC=C2
PHOP
CAS:288862-83-9
Formula: C18H18N2O2
71655
O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Phosphatidic Acids (ammonium salt)
Formula: C39H72O8P • NH4 (for oleoyl)
24344
OP(OC[C@H](OC([R])=O)COC([R])=O)([O-])=O.[NH4+]
Phosphatidylserine (bovine)
CAS:1446756-47-3
Formula: C42H78NO10P (for oleoyl)
24341
[R]C(OC[C@@H](OC([R])=O)COP(OCC([NH3+])C(O)=O)([O-])=O)=O
PHYTANIC ACID
CAS:14721-66-5
Formula: C20H40O2
90360
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
PHYTANIC ACID METHYL ESTER
CAS:1118-77-0
Formula: C21H42O2
1.00074e+007
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(OC)=O
PICROTOXIN
CAS:124-87-8
Formula: C15H18O7 • C15H16O6
20771
C[C@]([C@@](C1)([C@]2([H])[C@]([H])(C(C)=C)[C@@]3([H])OC2=O)O)([C@]3([H])OC4=O)[C@@]54[C@@H]1O5.C[C@]([C@@](C6)([C@]7([H])[C@]([H])(C(C)(O)C)[C@@]8([H])OC7=O)O)([C@]8([H])OC9=O)[C@@]%109[C@@H]6O%10
PINOLENIC ACID ETHYL ESTER
CAS:493015-74-0
Formula: C20H34O2
1.00087e+007
CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)OCC
PINOLENIC ACID METHYL ESTER
CAS:38406-57-4
Formula: C19H32O2
1.00087e+007
CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)OC
PIROXICAM
CAS:36322-90-4
Formula: C15H13N3O4S
13368
O=C(C(N1C)=C(O)C2=CC=CC=C2S1(=O)=O)NC3=CC=CC=N3
PNPS-DHA
CAS:2454246-25-2
Formula: C28H36N2O5S
29507
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(NS(C1=CC=C([N+]([O-])=O)C=C1)(=O)=O)=O
POV-PC
CAS:121324-31-0
Formula: C29H56NO9P
10031
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)OC(=O)CCCC=O
PPA
CAS:13159-16-5
Formula: C11H14O
75751
OCCC/C=C/c1ccccc1
PPHP
CAS:87864-20-8
Formula: C11H14O2
75750
OOCCC/C=C/c1ccccc1
PPPDA-O16B
Formula: C37H73NO4S4
40517
CCCN(CCC(OCCSSCCCCCCCCCCCC)=O)CCC(OCCSSCCCCCCCCCCCC)=O
PPZ-A10
CAS:2941268-67-1
Formula: C56H114N6O2
9.00414e+006
O=C(CCN(CCCCCCCCCC)CCCCCCCCCC)NCCCN1CCN(CCCNC(CCN(CCCCCCCCCC)CCCCCCCCCC)=O)CC1
PRIMAQUINE (PHOSPHATE)
CAS:63-45-6
Formula: C15H21N3O • 2H3PO4
18223
COC1=CC(NC(C)CCCN)=C2C(C=CC=N2)=C1.O=P(O)(O)O.O=P(O)(O)O
PROGESTERONE 3-BIOTIN
Formula: C38H59N5O5S
9.00064e+006
CC12C(CCC2C(C)=O)C3CCC4=C/C(CCC4(C)C3CC1)=N/OCC(NCCCCCNC(CCCCC5C(NC(N6)=O)C6CS5)=O)=O
PROPIVERINE N-OXIDE
CAS:111071-96-6
Formula: C23H29NO4
41013
O=C(OC(CC1)CC[N]1(C)=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC
PROPYLPHOSPHONIC ACID
CAS:4672-38-2
Formula: C3H9O3P
21702
OP(O)(CCC)=O
PROSTAGLANDIN A1-BIOTIN
Formula: C35H58N4O5S
10013
O=C1[C@H](CCCCCCC(NCCCCCNC(CCCC[C@H]2[C@]3([H])[C@](NC(N3)=O)([H])CS2)=O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C=C1
PROSTAGLANDIN A2-D4
CAS:201608-18-6
Formula: C20H26D4O4
310210
O=C1[C@H](C/C=C\C([2H])([2H])C([2H])([2H])CC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C=C1
PROSTAGLANDIN B2
CAS:13367-85-6
Formula: C20H30O4
11210
O=C1C(C/C=C\CCCC(O)=O)=C(/C=C/[C@@H](O)CCCCC)CC1
PROSTAGLANDIN B2-D4
CAS:211105-23-6
Formula: C20H26D4O4
311210
O=C1C(C/C=C\C([2H])([2H])C([2H])([2H])CC(O)=O)=C(/C=C/[C@@H](O)CCCCC)CC1
PROSTAGLANDIN D2 METHYL ESTER
CAS:49852-81-5
Formula: C21H34O5
1.00084e+007
CCCCCC(O)/C=C/[C@H]1C(=O)CC(O)C1C/C=C\CCCC(=O)OC
PROSTAGLANDIN D2-BIOTIN
Formula: C36H60N4O6S
1.00067e+007
O=C1C[C@H](O)[C@H](C/C=C\CCCCC(NCCCCCNC(CCCC[C@@H]2SC[C@@](N3)([H])[C@]2([H])NC3=O)=O)=O)[C@H]1/C=C/[C@@H](O)CCCCC
PROSTAGLANDIN E2 METHYL ESTER
CAS:31753-17-0
Formula: C21H34O5
14011
O=C1[C@H](C/C=C\CCCC(OC)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
PROSTAGLANDIN E2 SERINOL AMIDE
CAS:951209-67-9
Formula: C23H39NO6
10193
O=C1[C@H](C/C=C\CCCC(N([H])C(CO)CO)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
PROSTAGLANDIN E2-BIOTIN
CAS:2641624-60-2
Formula: C35H58N4O6S
1.0007e+007
[H][C@]12[C@](N([H])C(N2[H])=O)([H])CS[C@@H]1CCCCC(NCCCCCN([H])C(CCC/C=C\C[C@H]3C(C[C@@H](O)[C@@H]3/C=C/[C@@H](O)CCCCC)=O)=O)=O
PROSTAGLANDIN E2-D4-1-GLYCERYL ESTER
Formula: C23H34D4O7
14029
O=C1[C@H](C/C=C\CC([2H])([2H])C([2H])([2H])C(OCC(CO)O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
PROSTAGLANDIN E2-D9
CAS:1356347-42-6
Formula: C20H23D9O5
10581
O=C1[C@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@@H](O)CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])[C@H](O)C1
PROSTAGLANDIN F1A-D9
CAS:1542166-81-3
Formula: C20H27D9O5
1.00087e+007
O[C@@H]1[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])[C@H](O)C1
PROSTAGLANDIN F2A 1,11-LACTONE
CAS:62410-84-8
Formula: C20H32O4
16110
O[C@H]1C[C@@H]2[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(O2)=O
PROSTAGLANDIN F2A-1-GLYCERYL ESTER-D5
Formula: C23H35D5O7
13883
O[C@@H]1[C@H](C/C=C\CCCC(OC([2H])([2H])C(O)([2H])C([2H])([2H])O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
PROSTAGLANDIN F2A-D4
CAS:34210-11-2
Formula: C20H30D4O5
316010
O[C@@H]1[C@H](C/C=C\C([2H])([2H])C([2H])([2H])CC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C1
PROSTAGLANDIN F3A
CAS:745-64-2
Formula: C20H32O5
16990
O[C@@H]1[C@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@@H](O)C/C=C\CC)[C@H](O)C1
PROSTAGLANDIN G2
CAS:51982-36-6
Formula: C20H32O6
17010
CCCCC[C@@H](OO)/C=C/[C@H]1[C@@H]2OO[C@@H](C2)[C@H]1C/C=C\CCCC(O)=O
PROSTAGLANDIN H1
CAS:52589-22-7
Formula: C20H34O5
17015
CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2OO[C@@H](C2)[C@H]1CCCCCCC(O)=O
PROSTAGLANDIN H2
CAS:42935-17-1
Formula: C20H32O5
17020
C(/C=C\CCCC(O)=O)[C@@H]1[C@@H](/C=C/[C@H](CCCCC)O)[C@]2(C[C@@]1(OO2)[H])[H]
PROSTAGLANDIN J2
CAS:60203-57-8
Formula: C20H30O4
18500
CCCCC[C@H](O)/C=C/[C@H]([C@@H](C/C=C\CCCC(O)=O)C=C1)C1=O
PROSTAGLANDIN K1
CAS:69413-73-6
Formula: C20H32O5
18800
O=C(C1)[C@H](CCCCCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C1=O
PROSTAGLANDIN K2
CAS:275816-51-8
Formula: C20H30O5
18900
O=C(C1)[C@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)C1=O
PTP INHIBITOR II
CAS:2632-13-5
Formula: C9H9BrO2
20629
COC1=CC=C(C(CBr)=O)C=C1
PYRROLIDINE LINOLEAMIDE
CAS:3140-51-0
Formula: C22H39NO
17539
CCCCC/C=C\C/C=C\CCCCCCCC(N1CCCC1)=O
PYRROLIDINE RICINOLEAMIDE
CAS:1246776-23-7
Formula: C22H41NO2
17548
O=C(N1CCCC1)CCCCCCC/C=C\C[C@H](O)CCCCCC
QUERCETIN (HYDRATE)
CAS:849061-97-8
Formula: C15H10O7 • xH2O
1.00052e+007
O=C(C(O)=C(C1=CC(O)=C(O)C=C1)O2)C3=C2C=C(O)C=C3O.O
QUINIDINE
CAS:56-54-2
Formula: C20H24N2O2
20356
COC1=CC=C2C(C([C@H](O)[C@@]3([H])C[C@H]4[C@@H](C=C)C[N@@]3CC4)=CC=N2)=C1
R-2 METHANANDAMIDE
CAS:157182-47-3
Formula: C23H39NO2
90074
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(N([H])C[C@@H](C)O)=O
REBAMIPIDE
CAS:90098-04-7
Formula: C19H15ClN2O4
17186
O=C1NC2=CC=CC=C2C(CC(C(O)=O)NC(C3=CC=C(Cl)C=C3)=O)=C1
RESERPINE
CAS:50-55-5
Formula: C33H40N2O9
16474
COC1=CC(C(O[C@@H]2C[C@@](CN(CCC3=C4NC5=C3C=CC(OC)=C5)[C@]4([H])C6)([H])[C@@]6([H])[C@H](C(OC)=O)[C@H]2OC)=O)=CC(OC)=C1OC
RESOLVIN D2 N-3 DPA
CAS:2093111-29-4
Formula: C22H34O5
34482
O[C@H](/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CC)CCCCCC(O)=O
RESOLVIN E1
CAS:552830-51-0
Formula: C20H30O5
1.00078e+007
O[C@@H](CCCC(O)=O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@H](O)CC
RESOLVIN E1-D4
Formula: C20H26D4O5
1.00099e+007
CC[C@@H](O)/C=C/C([2H])=C([2H])\C[C@@H](O)/C=C/C=C/C([2H])=C([2H])\[C@@H](O)CCCC(O)=O
RESOLVIN E2
CAS:865532-70-3
Formula: C20H30O4
13827
CC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(O)=O
RICINELAIDIC ACID
CAS:540-12-5
Formula: C18H34O3
22470
O[C@H](CCCCCC)C/C=C/CCCCCCCC(O)=O
RICINOLEIC ACID
CAS:141-22-0
Formula: C18H34O3
1.00094e+007
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
RICINOLEIC ACID ETHYL ESTER
CAS:55066-53-0
Formula: C20H38O3
1.00097e+007
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(OCC)=O
RICINOLEIC ACID METHYL ESTER
CAS:141-24-2
Formula: C19H36O3
1.00097e+007
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC
RN-1734
CAS:946387-07-1
Formula: C14H22Cl2N2O2S
24205
ClC1=CC(Cl)=C(S(N(C(C)C)CCNC(C)C)(=O)=O)C=C1
RO 48-8071
CAS:161582-11-2
Formula: C23H27BrFNO2
1.00064e+007
C=CCN(C)CCCCCCOc1ccc(c(F)c1)C(=O)c1ccc(Br)cc1
S-FARNESYL THIOACETIC ACID
CAS:135784-48-4
Formula: C17H28O2S
63260
C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSCC(O)=O
SABINENE
CAS:3387-41-5
Formula: C10H16
25777
C=C1C2C(C2)(C(C)C)CC1
SAHA-BPYNE
CAS:930772-88-6
Formula: C27H31N3O5
10675
O=C(CCCCCCC(NO)=O)NC1=CC=C(C(C2=CC=C(NC(CCCC#C)=O)C=C2)=O)C=C1
SEBALEIC ACID-D19
CAS:2692624-10-3
Formula: C18H13D19O2
28228
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C/C=C\CCCC(O)=O
SENKYUNOLIDE A
CAS:63038-10-8
Formula: C12H16O2
25199
O=C1O[C@@H](CCCC)C2=C1C=CCC2
SIL Lipid
CAS:1566559-79-2
Formula: C54H108N4O6
40801
CN(CCC(OCCCCCCCCCCCC)=O)CCN(CCN(C)CCC(OCCCCCCCCCCCC)=O)CCN(CCC(OCCCCCCCCCCCC)=O)C
SLF
CAS:195513-96-3
Formula: C30H40N2O6
1.0008e+007
COc1cc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)CC)c2cccc(N)c2)ccc1OC
SM-102
CAS:2089251-47-6
Formula: C44H87NO5
33474
OCCN(CCCCCCCC(OC(CCCCCCCC)CCCCCCCC)=O)CCCCCC(OCCCCCCCCCCC)=O
SODIUM HYDROGEN SULFIDE (HYDRATE)
CAS:207683-19-0
Formula: HNaS • XH2O
1.00126e+007
[Na]S.O
SPERMIDINE
CAS:124-20-9
Formula: C7H19N3
14918
NCCCNCCCCN
SPERMINE
CAS:71-44-3
Formula: C10H26N4
18041
NCCCNCCCCNCCCN
ß-Asarone
CAS:5273-86-9
Formula: C12H16O3
11682
COC1=CC(/C=C\C)=C(OC)C=C1OC
ß-Elemene
CAS:515-13-9
Formula: C15H24
19641
C=C[C@@]1(C)[C@H](C(C)=C)C[C@H](C(C)=C)CC1
ß-Nicotyrine
CAS:487-19-4
Formula: C10H10N2
16333
CN1C=CC=C1C2=CC=CN=C2
ß-Ocimene
CAS:13877-91-3
Formula: C10H16
23466
C/C(C)=C/C/C=C(C)/C=C
ß-Tocotrienol
CAS:490-23-3
Formula: C28H42O2
9.00153e+006
C[C@]1(CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/C)OC2=C(C)C=C(O)C(C)=C2CC1
SSPalmO-Phe
CAS:2377474-67-2
Formula: C70H112N2O8S2
37670
O=C(CC1=CC=C(OC(CCCCCCC/C=C\CCCCCCCC)=O)C=C1)OCCC2CCN(CCSSCCN3CCC(CCOC(CC4=CC=C(OC(CCCCCCC/C=C\CCCCCCCC)=O)C=C4)=O)CC3)CC2
STEARIC ACID ETHYL ESTER
CAS:111-61-5
Formula: C20H40O2
1.00082e+007
CCCCCCCCCCCCCCCCCC(OCC)=O
STEARIDONIC ACID
CAS:20290-75-9
Formula: C18H28O2
90320
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
STEARIDONIC ACID ETHYL ESTER
CAS:119798-44-6
Formula: C20H32O2
1.00069e+007
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(OCC)=O
STERCULIC ACID METHYL ESTER
CAS:3220-60-8
Formula: C20H36O2
26736
CCCCCCCCC1=C(CCCCCCCC(OC)=O)C1
STY-BODIPY
CAS:2383063-37-2
Formula: C19H17BF2N2
27089
CC(C=C1C)=[N+](C1=C2)[B-](F)(F)N3C2=CC=C3/C=C/C4=CC=CC=C4
SUCCINYLCHOLINE (CHLORIDE HYDRATE)
CAS:6101-15-1
Formula: C14H30N2O4 • 2Cl [2H2O]
32829
O=C(CCC(OCC[N+](C)(C)C)=O)OCC[N+](C)(C)C.[Cl-].O.O.[Cl-]O=C(CCC(OCC[N+](C)(C)C)=O)OCC[N+](C)(C)C.[Cl-].O.O.[Cl-]
SULFORAPHANE
CAS:4478-93-7
Formula: C6H11NOS2
10496
CS(CCCCN=C=S)=O
SULINDAC
CAS:38194-50-2
Formula: C20H17FO3S
1.00044e+007
FC1=CC=C(/C(C(C)=C2CC(O)=O)=C\C3=CC=C(S(C)=O)C=C3)C2=C1
T-2 TOXIN-13C24
Formula: [13C]24H34O9
31300
[13CH3][13C]1=[13CH][13C@]2([H])[13C@]([13C@]([13C@H](O[13C]([13CH3])=O)[13C@H]3O)([13CH3])[13C@]4([13CH2]O4)[13C@]3([H])O2)([13CH2]O[13C]([13CH3])=O)[13CH2][13C@@H]1O[13C]([13CH2][13CH]([13CH3])[13CH3])=O
TAFLUPROST
CAS:209860-87-7
Formula: C25H34F2O5
1.00054e+007
O[C@@H](C[C@@H](O)[C@@H]1/C=C/C(F)(F)COC2=CC=CC=C2)[C@@H]1C/C=C\CCCC(OC(C)C)=O
TAFLUPROST (FREE ACID)
CAS:209860-88-8
Formula: C22H28F2O5
1.00054e+007
O[C@@H](C[C@@H](O)[C@@H]1/C=C/C(F)(F)COC2=CC=CC=C2)[C@@H]1C/C=C\CCCC(O)=O
TAFLUPROST ETHYL AMIDE
CAS:1185851-52-8
Formula: C24H33F2NO4
9.00084e+006
O[C@@H]1[C@H](C/C=C\CCCC(NCC)=O)[C@@H](/C=C/C(F)(F)COC2=CC=CC=C2)[C@H](O)C1
TANGERETIN
CAS:481-53-8
Formula: C20H20O7
1.00099e+007
COc1cccc(c1)c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
TCL053
CAS:2361162-70-9
Formula: C53H95NO8
37045
O=C(CCCN(C)C)OCC(COC(CCCCCCC/C=C\CCCC)=O)(COC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCC)=O
TENOXICAM
CAS:59804-37-4
Formula: C13H11N3O4S2
20304
O=C(C(N1C)=C(O)C2=C(C=CS2)S1(=O)=O)NC3=CC=CC=N3
TESTOSTERONE CAPROATE
CAS:10312-45-5
Formula: C25H38O3
31731
O=C1CC[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4OC(CCCCC)=O)=C1
TH257
CAS:2244678-29-1
Formula: C24H26N2O3S
34236
CCCCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C=C1)[S](=O)(=O)NC1=CC=CC=C1
THEOPHYLLINE
CAS:58-55-9
Formula: C7H8N4O2
23760
O=C1N(C)C(C(N=CN2)=C2N1C)=O
THIENYLDECYL ISOTHIOCYANATE
CAS:288323-41-1
Formula: C15H23NS2
19653
S=C=NCCCCCCCCCCC1=CC=CS1
THIMEROSAL
CAS:54-64-8
Formula: C9H9HgO2S • Na
33432
O=C([O-])C1=CC=CC=C1[S][Hg]CC.[Na+]
THIOETHERAMIDE-PC
CAS:116457-99-9
Formula: C40H83N2O5PS
62750
CCCCCCCCCCCCCCCC(N[C@@H](COP(OCC[N+](C)(C)C)([O-])=O)CSCCCCCCCCCCCCCCCC)=O
THIOFLAVIN T
CAS:2390-54-7
Formula: C17H19N2S • Cl
32553
CN(C)C(C=C1)=CC=C1C2=[N+](C)C3=C(C=C(C)C=C3)S2.[Cl-]
THJ2201 (EXEMPT PREPARATION)
CAS:1801552-01-1
Formula: C23H21FN2O
22860
O=C(C1=CC=CC2=C1C=CC=C2)C3=NN(CCCCCF)C4=C3C=CC=C4
TOLFENAMIC ACID
CAS:13710-19-5
Formula: C14H12ClNO2
70480
OC(=O)c1ccccc1Nc1cccc(Cl)c1C
TRANS-10-HEPTADECENOIC ACID
CAS:126761-43-1
Formula: C17H32O2
22468
OC(CCCCCCCC/C=C/CCCCCC)=O
TRANS-EKODE-(E)-IB
CAS:478931-82-7
Formula: C18H30O4
1.00042e+007
CCCCCC(O1)C1/C=C/C(CCCCCCCC(O)=O)=O
TRANS-TRISMETHOXY RESVERATROL-D4
CAS:1089051-64-8
Formula: C17H14D4O3
13129
COc1ccc(cc1)\C=C/c1cc(OC)cc(OC)c1
TRANS-VACCENIC ACID
CAS:693-72-1
Formula: C18H34O2
15301
OC(CCCCCCCCC/C=C/CCCCCC)=O
TRANS-VACCENIC ACID METHYL ESTER
CAS:6198-58-9
Formula: C19H36O2
26731
O=C(OC)CCCCCCCCC/C=C/CCCCCC
TRIFLUPROMAZINE (HYDROCHLORIDE)
CAS:1098-60-8
Formula: C18H19F3N2S • HCl
27610
FC(F)(F)C1=CC=C2SC3=CC=CC=C3N(CCCN(C)C)C2=C1.Cl
TT3
CAS:1821214-50-9
Formula: C90H174N6O3
37909
O=C(C1=CC(C(NCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)=O)=CC(C(NCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)=O)=C1)NCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
U-46619
CAS:56985-40-1
Formula: C21H34O4
16450
CCCCC[C@H](O)/C=C/[C@H]1C2OCC(C2)[C@@H]1C/C=C\CCCC(O)=O
U-75302
CAS:119477-85-9
Formula: C22H35NO3
70705
OCCCC[C@H](O)CC1=NC(/C=C/[C@H](O)C/C=C\CCCCC)=CC=C1
UCM707
CAS:390824-20-1
Formula: C25H37NO2
10045
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1cocc1
UCN-02
CAS:121569-61-7
Formula: C28H26N4O4
20221
[H][C@]12N(C3=C(N([C@](O2)(C)[C@H](OC)[C@H](NC)C1)C4=C5C=CC=C4)C5=C([C@H](O)NC6=O)C6=C37)C8=C7C=CC=C8
UNOPROSTONE ISOPROPYL ESTER
CAS:120373-24-2
Formula: C25H44O5
16681
O[C@@H]1[C@H](C/C=C\CCCC(OC(C)C)=O)[C@@H](CCC(CCCCCCC)=O)[C@H](O)C1
UR-144-D5
CAS:2484976-97-6
Formula: C21H24D5NO
11772
O=C(C1C(C)(C)C1(C)C)C2=C([2H])N(CCCCC)C3=C2C([2H])=C([2H])C([2H])=C3[2H]
USNIC ACID
CAS:125-46-2
Formula: C18H16O7
22585
CC1(C(C2C(C)=O)=O)C3=C(O)C(C)=C(O)C(C(C)=O)=C3OC1=CC2=O
V-PYRRO/NO
CAS:179344-98-0
Formula: C6H11N3O2
82160
[O-]/[N+](N1CCCC1)=N\OC=C
VATIQUINONE
CAS:1213269-98-7
Formula: C29H44O3
26819
O=C1C(C)=C(C)C(C(CC[C@@](O)(C)CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/C)=C1C)=O
VDM11
CAS:313998-81-1
Formula: C27H39NO2
1.00067e+007
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1C
VITAMIN D2
CAS:50-14-6
Formula: C28H44O
11791
C=C1CC[C@H](O)C/C1=C/C=C2[C@@](CC[C@@]3([C@H](C)/C=C/[C@H](C)C(C)C)[H])([H])[C@]3(C)CCC/2
VL422
CAS:2765519-47-7
Formula: C62H117NO11
39874
CCCCCCCCC(CCCCCCCC)OC(CCCCCCC(OCC(COC(OCCCN(CC)CC)=O)COC(CCCCCCC(OC(CCCCCCCC)CCCCCCCC)=O)=O)=O)=O
WWL229
CAS:1338575-28-2
Formula: C16H22N2O5
16182
O=C(OC1=CC=C([N+]([O-])=O)C=C1)N2CCCCC2CCCOC
XANTHONE
CAS:90-47-1
Formula: C13H8O2
34098
O=C1C2=CC=CC=C2OC3=CC=CC=C31
XLR11-D5
CAS:2095544-37-7
Formula: C21H23D5FNO
11771
O=C(C1C(C)(C)C1(C)C)C2=C([2H])N(CCCCCF)C3=C2C([2H])=C([2H])C([2H])=C3[2H]
XYLAZINE
CAS:7361-61-7
Formula: C12H16N2S
14113
CC1=CC=CC(C)=C1NC2=NCCCS2
XYLAZINE (HYDROCHLORIDE)
CAS:23076-35-9
Formula: C12H16N2S • HCl
36692
CC1=C(C(C)=CC=C1)NC2=NCCCS2.Cl
XYLOMETAZOLINE (HYDROCHLORIDE)
CAS:1218-35-5
Formula: C16H24N2 • HCl
27797
CC1=C(CC2=NCCN2)C(C)=CC(C(C)(C)C)=C1.Cl
YK-009
CAS:2761458-86-8
Formula: C40H79NO5
38282
OCCN(CCCCCC(OCC(CCCCCCCC)CCCCCCCC)=O)CCCC(OCCCCCCCCCC)=O
YS-121
CAS:916482-17-2
Formula: C20H26ClN3O2S
13665
CC1=C(NC2=CC(Cl)=NC(SC(C(O)=O)CCCCCC)=N2)C=CC=C1C
Z3-DODECENYL E2-BUTENOATE
CAS:104086-73-9
Formula: C16H28O2
19787
C/C=C/C(OCC/C=C\CCCCCCCC)=O
Group : Limited Quantity
(+)-PILOCARPINE (HYDROCHLORIDE)
CAS:54-71-7
Formula: C11H16N2O2 • HCl
14487
CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O.Cl
(-)-NICOTINE
CAS:54-11-5
Formula: C10H14N2
29138
CN1CCC[C@H]1C2=CC=CN=C2
(-)-NICOTINE (TARTRATE)
CAS:65-31-6
Formula: C10H14N2 • 2C4H6O6
20887
CN1CCC[C@H]1C2=CC=CN=C2.OC([C@H](O)[C@@H](O)C(O)=O)=O.OC([C@H](O)[C@@H](O)C(O)=O)=O
(–)-Epinephrine
CAS:51-43-4
Formula: C9H13NO3
18626
OC1=C(O)C=CC([C@@H](O)CNC)=C1
(R)-TETRAHYDROFURAN-2-YL-METHYLAMINE
CAS:7202-43-9
Formula: C5H11NO
11389
NC[C@@H]1OCCC1
(S)-TETRAHYDROFURAN-2-YL-METHYLAMINE
CAS:7175-81-7
Formula: C5H11NO
11388
NC[C@H]1OCCC1
1,10-PHENANTHROLINE (HYDRATE)
CAS:5144-89-8
Formula: C12H8N2 • H2O
28951
C12=CC=C3C(N=CC=C3)=C1N=CC=C2.O
1,3-DI-O-TOLYLGUANIDINE
CAS:97-39-2
Formula: C15H17N3
31736
CC1=CC=CC=C1NC(NC2=CC=CC=C2C)=N
1,4-BENZOQUINONE
CAS:106-51-4
Formula: C6H4O2
27560
O=C(C=C1)C=CC1=O
1-PALMITOYL-2-13(S)-HPODE-SN-GLYCERO-3-PC
CAS:444997-11-9
Formula: C42H80NO10P
31976
O=C(CCCCCCCCCCCCCCC)OC[C@@H](OC(CCCCCCC/C=C\C=C\[C@H](CCCCC)OO)=O)COP(OCC[N+](C)(C)C)([O-])=O
11(Z)-EICOSENOIC ACID
CAS:5561-99-9
Formula: C20H38O2
20606
CCCCCCCC/C=C\CCCCCCCCCC(O)=O
13C28-Bongkrekic Acid
Formula: [13C]28H38O7
39454
O[13C](/[13CH]=[13C]([13CH2][13C](O)=O)\[13CH]=[13CH]\[13C@@H]([13CH3])[13CH2]/[13CH]=[13CH]/[13CH2][13CH2]/[13CH]=[13CH]/[13CH]=[13CH]\[13CH2][13C@@H](O[13CH3])/[13C]([13CH3])=[13CH]\[13CH]=[13C]([13C](O)=O)/[13CH3])=O
4-AMINOPYRIDINE
CAS:504-24-5
Formula: C5H6N2
18511
NC1=CC=NC=C1
4-DEOXY NIVALENOL-13C15
CAS:911392-36-4
Formula: [13C]15H20O6
31249
[13CH3][13C]1=[13CH][13C@]2([H])[13C@]([13C@]([13CH2][13C@H]3O)([13CH3])[13C@]4([13CH2]O4)[13C@]3([H])O2)([13CH2]O)[13C@H](O)[13C]1=O
4-METHYL-1-PENTANOL
CAS:626-89-1
Formula: C6H14O
18446
CC(CCCO)C
5-FLUOROURACIL
CAS:51-21-8
Formula: C4H3FN2O2
14416
O=C1NC(NC=C1F)=O
ACETYLTHIOCHOLINE (IODIDE)
CAS:1866-15-5
Formula: C7H16NOS • I
34313
O=C(C)SCC[N+](C)(C)C.[I-]
AFLATOXIN G1-13C17
CAS:1217444-07-9
Formula: [13C]17H12O7
31262
O=[13C]1[13C]2=[13C]([13CH2][13CH2]O[13C]2=O)[13C]3=[13C]([13C]([13C@@]([13CH]=[13CH]O4)([H])[13C@@]4([H])O5)=[13C]5[13CH]=[13C]3O[13CH3])O1
ALLOPURINOL
CAS:315-30-0
Formula: C5H4N4O
1.00126e+007
O=c1nc[nH]c2[nH]ncc12
ALLYLTHIOUREA
CAS:109-57-9
Formula: C4H8N2S
30282
C=CCNC(N)=S
AMINOPHENAZONE
CAS:58-15-1
Formula: C13H17N3O
15770
CN(C)C1=C(C)N(C)N(C2=CC=CC=C2)C1=O
AMINOPHYLLINE
CAS:317-34-0
Formula: C7H8N4O2 • 1/2C2H8N2
22235
CN(C(N1C)=O)C2=C(N=CN2)C1=O.CN(C(N3C)=O)C4=C(N=CN4)C3=O.NCCN
BENZTROPINE (MESYLATE)
CAS:132-17-2
Formula: C21H25NO • CH3SO3H
16214
CN1[C@@H]2C[C@@H](OC(C3=CC=CC=C3)C4=CC=CC=C4)C[C@H]1CC2.OS(C)(=O)=O
BITHIONOL
CAS:97-18-7
Formula: C12H6Cl4O2S
21844
ClC1=CC(Cl)=CC(SC2=CC(Cl)=CC(Cl)=C2O)=C1O
BTS
CAS:1576-37-0
Formula: C14H15NO2S
30099
CC1=CC=C(S(NCC2=CC=CC=C2)(=O)=O)C=C1
CARBADOX
CAS:6804-07-5
Formula: C11H10N4O4
24903
O=[N](C(/C=N/NC(OC)=O)=C1)=C(C=CC=C2)C2=[N]1=O
CARBAMOYLCHOLINE (CHLORIDE)
CAS:51-83-2
Formula: C6H15N2O2 • Cl
14486
NC(OCC[N+](C)(C)C)=O.[Cl-]
CATECHOL
CAS:120-80-9
Formula: C6H6O2
34791
OC1=C(O)C=CC=C1
CAY10771
CAS:2522599-79-5
Formula: C28H25Cl3N2O4
31758
ClC1=CC=CC(Cl)=C1C2=NOC(C(C)C)=C2COC3=CC(Cl)=C(CNC4=CC=C(CC(O)=O)C=C4)C=C3
Cholesteryl Arachidonate-d8
Formula: C47H68D8O2
39085
C[C@]12C(C[C@@H](OC(CCC/C([2H])=C([2H])\C/C([2H])=C([2H])\C/C([2H])=C([2H])\C/C([2H])=C([2H])\CCCCC)=O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC[C@@]4([C@@H](CCCC(C)C)C)[H]
CLONIDINE (HYDROCHLORIDE)
CAS:4205-91-8
Formula: C9H9Cl2N3 • HCl
15949
ClC1=C(NC2=NCCN2)C(Cl)=CC=C1.Cl
CYCLIZINE (HYDROCHLORIDE)
CAS:303-25-3
Formula: C18H22N2 • HCl
31190
CN1CCN(C(C2=CC=CC=C2)C3=CC=CC=C3)CC1.Cl
DIALLYL SULFIDE
CAS:592-88-1
Formula: C6H10S
20894
C=CCSCC=C
DICLOFENAC (DIETHYLAMINE)
CAS:78213-16-8
Formula: C14H11Cl2NO2 • C4H11N
22983
ClC1=C(NC2=C(CC(O)=O)C=CC=C2)C(Cl)=CC=C1.CCNCC
DICLOFENAC (SODIUM SALT)
CAS:15307-79-6
Formula: C14H10Cl2NO2 • Na
70680
ClC1=C(N([H])C2=C(CC([O-])=O)C=CC=C2)C(Cl)=CC=C1.[Na+]
FLUFENAMIC ACID
CAS:530-78-9
Formula: C14H10F3NO2
21447
OC(C1=C(NC2=CC=CC(C(F)(F)F)=C2)C=CC=C1)=O
FLUPROSTENOL
CAS:54276-17-4
Formula: C23H29F3O6
16768
O[C@@H]1[C@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@@H](O)COC2=CC=CC(C(F)(F)F)=C2)[C@H](O)C1
HEPTAFLUOROBUTYRIC ACID
CAS:375-22-4
Formula: C4HF7O2
37234
O=C(C(F)(C(F)(C(F)(F)F)F)F)O
HEPTANOIC ACID METHYL ESTER
CAS:106-73-0
Formula: C8H16O2
33673
O=C(CCCCCC)OC
HEXANOIC ACID METHYL ESTER
CAS:106-70-7
Formula: C7H14O2
33675
O=C(CCCCC)OC
LAUROYLSARCOSINE (SODIUM SALT)
CAS:137-16-6
Formula: C15H28NO3 • Na
33718
O=C(CN(C)C(CCCCCCCCCCC)=O)[O-].[Na+]
MENTHONE
CAS:10458-14-7
Formula: C10H18O
34683
O=C1CC(CCC1C(C)C)C
MONENSIN (SODIUM SALT)
CAS:22373-78-0
Formula: C36H61O11 • Na
16488
OC[C@@]1(O)[C@H](C)C[C@H](C)[C@]([C@]2([H])O[C@]([C@]3(CC)CC[C@@]([C@@]4(C)O[C@@]5(C[C@H](O)[C@@H](C)[C@]([C@@H](C)[C@@H](OC)[C@@H](C([O-])=O)C)([H])O5)CC4)([H])O3)([H])[C@@H](C)C2)([H])O1.[Na+]
MUSCONE
CAS:541-91-3
Formula: C16H30O
16067
O=C1CCCCCCCCCCCCC(C)C1
N,N-DIMETHYL SPHINGANINE (D18:0)
CAS:17267-46-8
Formula: C20H43NO2
22504
OC[C@H](N(C)C)[C@H](O)CCCCCCCCCCCCCCC
N-ETHYLMALEIMIDE
CAS:128-53-0
Formula: C6H7NO2
19938
O=C1C=CC(N1CC)=O
N-NITROSO-N-ETHYLANILINE
CAS:612-64-6
Formula: C8H10N2O
21063
CCN(N=O)C1=CC=CC=C1
NAPHAZOLINE (HYDROCHLORIDE)
CAS:550-99-2
Formula: C14H14N2 • HCl
23774
C1(C(CC2=NCCN2)=CC=C3)=C3C=CC=C1.Cl
OCHRATOXIN A-13C20
CAS:911392-42-2
Formula: [13C]20H18ClNO6
31295
O[13C]([13C@H]([13CH2][13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)N[13C]([13C]2=[13CH][13C](Cl)=[13C]([13CH2][13C@@H]([13CH3])O[13C]3=O)[13C]3=[13C]2O)=O)=O
P-CHLORO PHENYLALANINE
CAS:7424-00-2
Formula: C9H10ClNO2
26168
ClC1=CC=C(CC(N)C(O)=O)C=C1
PATULIN-13C7
Formula: [13C]7H6O4
31301
O=[13C]1[13CH]=[13C]2[13CH](O)O[13CH2][13CH]=[13C]2O1
PENTADECAFLUOROOCTANOIC ACID
CAS:335-67-1
Formula: C8HF15O2
37232
O=C(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)O
PHENYLBUTAZONE
CAS:50-33-9
Formula: C19H20N2O2
70400
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
PHENYLMETHYLSULFONYL FLUORIDE
CAS:329-98-6
Formula: C7H7FO2S
14333
FS(CC1=CC=CC=C1)(=O)=O
PHENYTOIN
CAS:57-41-0
Formula: C15H12N2O2
24037
O=C(C(C1=CC=CC=C1)(C2=CC=CC=C2)N3)NC3=O
PTP INHIBITOR II
CAS:2632-13-5
Formula: C9H9BrO2
20629
COC1=CC=C(C(CBr)=O)C=C1
QUERCETIN (HYDRATE)
CAS:849061-97-8
Formula: C15H10O7 • xH2O
1.00052e+007
O=C(C(O)=C(C1=CC(O)=C(O)C=C1)O2)C3=C2C=C(O)C=C3O.O
QUINIDINE
CAS:56-54-2
Formula: C20H24N2O2
20356
COC1=CC=C2C(C([C@H](O)[C@@]3([H])C[C@H]4[C@@H](C=C)C[N@@]3CC4)=CC=N2)=C1
SPECTINOMYCIN (HYDROCHLORIDE HYDRATE)
CAS:22189-32-8
Formula: C14H24N2O7 • 2HCl [5H2O]
14324
[H][C@@]12[C@@](C(C[C@@H](C)O2)=O)(O)O[C@]3([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]3([H])O1.Cl.Cl.O.O.O.O.O
STERIGMATOCYSTIN-13C18
Formula: [13C]18H12O6
31302
O[13C]1=[13C]([13C]([13C]([13C](O[13CH3])=[13CH][13C]2=[13C]3[13C@@]4([H])[13C@@](O[13CH]=[13CH]4)([H])O2)=[13C]3O5)=O)[13C]5=[13CH][13CH]=[13CH]1
SULINDAC
CAS:38194-50-2
Formula: C20H17FO3S
1.00044e+007
FC1=CC=C(/C(C(C)=C2CC(O)=O)=C\C3=CC=C(S(C)=O)C=C3)C2=C1
TACRINE (HYDROCHLORIDE)
CAS:1684-40-8
Formula: C13H14N2 • HCl
70240
NC1=C2C(CCCC2)=NC3=C1C=CC=C3.Cl
TETRADECYLTRIMETHYLAMMONIUM (BROMIDE)
CAS:1119-97-7
Formula: C17H38N • Br
23248
C[N+](C)(C)CCCCCCCCCCCCCC.[Br-]
THEOPHYLLINE
CAS:58-55-9
Formula: C7H8N4O2
23760
O=C1N(C)C(C(N=CN2)=C2N1C)=O
THIMEROSAL
CAS:54-64-8
Formula: C9H9HgO2S • Na
33432
O=C([O-])C1=CC=CC=C1[S][Hg]CC.[Na+]
THIOFLAVIN T
CAS:2390-54-7
Formula: C17H19N2S • Cl
32553
CN(C)C(C=C1)=CC=C1C2=[N+](C)C3=C(C=C(C)C=C3)S2.[Cl-]
UR-144-D5
CAS:2484976-97-6
Formula: C21H24D5NO
11772
O=C(C1C(C)(C)C1(C)C)C2=C([2H])N(CCCCC)C3=C2C([2H])=C([2H])C([2H])=C3[2H]
VITAMIN D3
CAS:67-97-0
Formula: C27H44O
11792
C=C1CC[C@H](O)C/C1=C/C=C2[C@@](CC[C@@]3([C@H](C)CCCC(C)C)[H])([H])[C@]3(C)CCC/2
XLR11-D5
CAS:2095544-37-7
Formula: C21H23D5FNO
11771
O=C(C1C(C)(C)C1(C)C)C2=C([2H])N(CCCCCF)C3=C2C([2H])=C([2H])C([2H])=C3[2H]
YOHIMBINE (HYDROCHLORIDE)
CAS:65-19-0
Formula: C21H26N2O3 • HCl
19869
[H][C@]12N(CCC3=C2NC4=C3C=CC=C4)C[C@]5([H])CC[C@H](O)[C@H](C(OC)=O)[C@@]5([H])C1.Cl
ZEARALENONE-13C18
CAS:911392-43-3
Formula: [13C]18H22O5
31288
O[13C]1=[13C]([13C](O[13C@@H]([13CH3])[13CH2][13CH2][13CH2][13C]([13CH2][13CH2][13CH2]/[13CH]=[13CH]/2)=O)=O)[13C]2=[13CH][13C](O)=[13CH]1
Group : Non-Hazardous
(+)-?-TOCOPHEROL
CAS:54-28-4
Formula: C28H48O2
36362
CC1=C2C(CC[C@@](C)(O2)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=CC(O)=C1C
(+)-2-Fluorodeoxyarbutin
Formula: C11H13FO3
9.00111e+006
OC1=C(F)C=C(OC2OCCCC2)C=C1
(+)-3,4-METHYLENEDIOXY PYROVALERONE (HYDROCHLORIDE)
Formula: C16H21NO3 • HCl
14524
O=C(C(CCC)N1CCCC1)C2=CC(OCO3)=C3C=C2.Cl
(+)-3-CARENE
CAS:498-15-7
Formula: C10H16
23165
CC1=CC[C@H]2C(C)(C)[C@H]2C1
(+)-ABSCISIC ACID
CAS:21293-29-8
Formula: C15H20O4
10073
CC1(C)[C@](/C=C/C(C)=C\C(O)=O)(O)C(C)=CC(C1)=O
(+)-ABSCISIC ACID-D6
CAS:721948-65-8
Formula: C15H14D6O4
29093
CC1(C)[C@](/C=C/C(C)=C\C(O)=O)(O)C(C([2H])([2H])[2H])=C([2H])C(C1([2H])[2H])=O
(+)-AEROPLYSININ-1
CAS:28656-91-9
Formula: C9H9Br2NO3
21498
COC1=C(Br)[C@H](O)[C@@](CC#N)(O)C=C1Br
(+)-ALLIIN
CAS:556-27-4
Formula: C6H11NO3S
14002
C=CC[S@@](C[C@H](N)C(O)=O)=O
(+)-ANOMININE
CAS:120991-21-1
Formula: C28H39NO
32923
C/C(C)=C/CC[C@]12[C@@H](C(CC[C@]1([C@@H](CC[C@@H]2O)C)C)=C)CC3=CNC4=CC=CC=C34
(+)-APHIDICOLIN
CAS:38966-21-1
Formula: C20H34O4
14007
O[C@]1(CO)CC[C@]23[C@@](C[C@@H]1C3)([H])CC[C@@]4([H])[C@@](CO)(C)[C@H](O)CC[C@@]42C
(+)-ATENOLOL
CAS:56715-13-0
Formula: C14H22N2O3
18623
NC(CC1=CC=C(OC[C@H](O)CNC(C)C)C=C1)=O
(+)-BACLOFEN (HYDROCHLORIDE)
CAS:63701-55-3
Formula: C10H12ClNO2 • HCl
31595
OC(C[C@H](C1=CC=C(C=C1)Cl)CN)=O.Cl
(+)-BIOTIN 4-AMIDOBENZOIC ACID (SODIUM SALT)
CAS:102418-74-6
Formula: C17H20N3O4S • Na
20534
[O-]C(C1=CC=C(NC(CCCC[C@@H]2SC[C@@]3([H])[C@]2([H])NC(N3)=O)=O)C=C1)=O.[Na+]
(+)-BLEBBISTATIN
CAS:1177356-70-5
Formula: C18H16N2O2
13165
Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1
(+)-CANNABIDIOL
CAS:74219-29-7
Formula: C21H30O2
9.00342e+006
OC(C=C(C=C1O)CCCCC)=C1[C@@H]2[C@@H](C(C)=C)CCC(C)=C2
(+)-CATECHIN (HYDRATE)
CAS:225937-10-0
Formula: C15H14O6 • XH2O
70940
OC1=CC([C@@H](O2)[C@@H](O)CC3=C2C=C(O)C=C3O)=CC=C1O.O
(+)-CEDROL
CAS:77-53-2
Formula: C15H26O
25769
CC([C@]1([H])[C@](C)(O)CC2)(C)[C@@]3([H])[C@@]2(C1)[C@H](C)CC3
(+)-CHLOROPSEUDOEPHEDRINE (HYDROCHLORIDE)
CAS:94133-42-3
Formula: C10H14ClN • HCl
9.00235e+006
Cl[C@H]([C@@H](NC)C)C1=CC=CC=C1.Cl
(+)-CLOPROSTENOL (SODIUM SALT)
CAS:62561-03-9
Formula: C22H28ClO6 • Na
16766
O[C@@H]1[C@H](C/C=C\CCCC([O-])=O)[C@@H](/C=C/[C@@H](O)COC2=CC=CC(Cl)=C2)[C@H](O)C1.[Na+]
(+)-CP 47,497
CAS:134308-14-8
Formula: C21H34O2
10910
O[C@@H]1C[C@H](C2=CC=C(C(C)(C)CCCCCC)C=C2O)CCC1
(+)-D-CADINENE
CAS:483-76-1
Formula: C15H24
34444
CC([C@H]1[C@@]2([H])C(CCC(C)=C2)=C(CC1)C)C
(+)-D-THREO-PDMP (HYDROCHLORIDE)
CAS:139889-62-6
Formula: C23H38N2O3 • HCl
10178
CCCCCCCCCC(N[C@@H]([C@H](O)C1=CC=CC=C1)CN2CCOCC2)=O.Cl
(+)-EPHEDRINE (HYDROCHLORIDE)
CAS:24221-86-1
Formula: C10H15NO • HCl
14143
C[C@@H](NC)[C@@H](O)C1=CC=CC=C1.Cl
(+)-EPOXYSUBEROSIN
CAS:80368-68-9
Formula: C15H16O4
30042
O=C1C=CC2=CC(C[C@H]3OC3(C)C)=C(OC)C=C2O1
(+)-FENCHOL
CAS:2217-02-9
Formula: C10H18O
23162
C[C@]12CC[C@@H](C2)C(C)(C)[C@@H]1O
(+)-GALLOCATECHIN
CAS:970-73-0
Formula: C15H14O7
25125
OC1=CC([C@@H]2[C@@H](O)CC3=C(O)C=C(O)C=C3O2)=CC(O)=C1O
(+)-GEODIN
CAS:427-63-4
Formula: C17H12Cl2O7
26421
O=C1C2=C(O)C(Cl)=C(C)C(Cl)=C2O[C@]13C(OC)=CC(C=C3C(OC)=O)=O
(+)-ISOPULEGOL
CAS:104870-56-6
Formula: C10H18O
23160
CC([C@H]1CC[C@H](C)C[C@@H]1O)=C
(+)-JQ1
CAS:1268524-70-4
Formula: C23H25ClN4O2S
11187
ClC1=CC=C(C=C1)C2=N[C@@H](CC(OC(C)(C)C)=O)C3=NN=C(C)N3C4=C2C(C)=C(C)S4
(+)-JQ1 (FREE ACID)
CAS:202592-23-2
Formula: C19H17ClN4O2S
9.00291e+006
CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H]3CC(O)=O)=C(S1)N4C3=NN=C4C
(+)-JQ1 PA
CAS:2115701-93-2
Formula: C22H20ClN5OS
30414
CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@@H](CC(NCC#C)=O)C3=NN=C(C)N34)=C4S1
(+)-KAVAIN
CAS:500-64-1
Formula: C14H14O3
33881
O=C1O[C@@H](/C=C/C2=CC=CC=C2)CC(OC)=C1
(+)-KAVAIN
CAS:500-64-1
Formula: C14H14O3
26524
O=C1O[C@@H](/C=C/C2=CC=CC=C2)CC(OC)=C1
(+)-LONGIFOLENE
CAS:475-20-7
Formula: C15H24
37362
[H][C@]12[C@@H](C([C@](C)3CCCC2(C)C)=C)CC[C@@]31[H]
(+)-LUPANINE (PERCHLORATE)
CAS:7400-11-5
Formula: C15H24N2O • ClHO4
31241
O=C1CCC[C@@]2([H])N1C[C@]([H])(C3)[C@@]4([H])N(CCCC4)C[C@@]23[H].O=Cl(=O)(O)=O
(+)-MACROSPHELIDE A
CAS:172923-77-2
Formula: C16H22O8
27704
O=C(O[C@@H](C)[C@H](O)/C=C/C1=O)C[C@H](C)OC(/C=C/[C@@H](O)[C@H](C)O1)=O
(+)-MENTHOL
CAS:15356-60-2
Formula: C10H20O
23463
C[C@@H]1C[C@H](O)[C@@H](C(C)C)CC1
(+)-Muscarine (tosylate)
CAS:82083-43-0
Formula: C9H20NO2 • C7H7O3S
38853
C[C@H]1[C@H](O)C[C@@H](C[N+](C)(C)C)O1.CC2=CC=C(S([O-])(=O)=O)C=C2
(+)-N-3-BENZYLNIRVANOL
CAS:790676-40-3
Formula: C18H18N2O2
30097
O=C(N1CC2=CC=CC=C2)[C@@](C3=CC=CC=C3)(CC)NC1=O
(+)-Naproxen (sodium salt)
CAS:26159-34-2
Formula: C14H13O3 • Na
37554
[O-]C([C@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C)=O.[Na+]
(+)-NOOTKATONE
CAS:4674-50-4
Formula: C15H22O
24910
CC([C@@H]1CCC2=CC(C[C@@H](C)[C@]2(C)C1)=O)=C
(+)-NORPROPOXYPHENE (MALEATE)
CAS:159208-83-0
Formula: C21H27NO2 • C4H4O4
15291
C[C@H](CNC)[C@@](C1=CC=CC=C1)(OC(CC)=O)CC2=CC=CC=C2.OC(/C=C\C(O)=O)=O
(+)-NORPROPOXYPHENE-D5 (MALEATE)
Formula: C21H22D5NO2 • C4H4O4
15838
CCC(O[C@](C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])(CC2=CC=CC=C2)[C@@H](CNC)C)=O.OC(/C=C\C(O)=O)=O
(+)-NUTLIN-3
CAS:675576-97-3
Formula: C30H30Cl2N4O4
1.00098e+007
ClC1=CC=C([C@H]2[C@@H](C3=CC=C(Cl)C=C3)N=C(C4=CC=C(OC)C=C4OC(C)C)N2C(N5CCN([H])C(C5)=O)=O)C=C1
(+)-OXANTHROMICIN
CAS:1616622-08-2
Formula: C36H30O12
23150
OC1=C(C(O)=O)C(C)=C2C([C@](OO[C@@]3(C)C(C=CC(C)=C4O)=C4C(C5=C3C=C(O)C(C(O)=O)=C5C)=O)(C)C(C=CC(C)=C6O)=C6C2=O)=C1
(+)-OXYPEUCEDANIN HYDRATE
CAS:2643-85-8
Formula: C16H16O6
33841
CC(C)(O)[C@H](O)COC1=C(C=CO2)C2=CC(O3)=C1C=CC3=O
(+)-PD 128907 (HYDROCHLORIDE)
CAS:300576-59-4
Formula: C14H19NO3 • HCl
21235
OC1=CC=C(OC[C@]2([H])[C@]3([H])OCCN2CCC)C3=C1.Cl
(+)-PINORESINOL
CAS:487-36-5
Formula: C20H22O6
27700
OC(C=C1)=C(OC)C=C1[C@@H]2[C@@]3([H])CO[C@H](C4=CC(OC)=C(O)C=C4)[C@@]3([H])CO2
(+)-PRAERUPTORIN A
CAS:73069-27-9
Formula: C21H22O7
24915
O=C1C=CC(C=CC2=C3[C@H](OC(C)=O)[C@H](OC(/C(C)=C\C)=O)C(C)(C)O2)=C3O1
(+)-PRAERUPTORIN B
CAS:73069-28-0
Formula: C24H26O7
37536
C/C=C(C)\C(O[C@H]1C2=C(OC(C)([C@H]1OC(/C(C)=C\C)=O)C)C=CC(C=C3)=C2OC3=O)=O
(+)-QUINOLACTACIN A1
CAS:815576-68-2
Formula: C16H18N2O2
27939
O=C1C2=C([C@]([C@H](CC)C)([H])NC2=O)N(C)C3=C1C=CC=C3
(+)-RUGULOSIN
CAS:23537-16-8
Formula: C30H22O10
23558
CC1=CC(O)=C(C(C2=C(O)[C@]3([H])[C@]4(C(C5=CC(C)=CC(O)=C5C6=O)=O)C6=C(O)[C@@]([H])([C@](O)([H])[C@]4([H])[C@@]7([H])[C@]3([H])O)[C@]27C8=O)=O)C8=C1
(+)-SECOISOLARICIRESINOL
CAS:145265-02-7
Formula: C20H26O6
33155
COC(C=C1C[C@H](CO)[C@@H](CO)CC2=CC(OC)=C(C=C2)O)=C(C=C1)O
(+)-SOROKINIANIN
CAS:162616-73-1
Formula: C18H28O4
33254
OC[C@H]1[C@@]2([H])[C@]([C@@]3([H])OC([C@H](O)C3)=O)([H])C([C@@]1(CC[C@@H]2C(C)C)C)=C
(+)-SPARTEINE
CAS:492-08-0
Formula: C15H26N2
36400
[H][C@@]1(CN2[C@@]3([H])CCCC2)[C@](CCCC4)([H])N4C[C@@]3([H])C1
(+)-ß-Citronellol
CAS:1117-61-9
Formula: C10H20O
23464
C/C(C)=C/CC[C@@H](C)CCO
(+)-TAXIFOLIN
CAS:480-18-2
Formula: C15H12O7
23234
OC1=CC(O)=C(C([C@H](O)[C@@H](C2=CC=C(O)C(O)=C2)O3)=O)C3=C1
(+)-TRANS-C75
CAS:1234694-20-2
Formula: C14H22O4
9.00078e+006
CCCCCCCC[C@@H](OC1=O)[C@@H](C(O)=O)C1=C
(+)-VALENCENE
CAS:4630-07-3
Formula: C15H24
23167
CC([C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1)=C
(+)-WIN 55,212-2 (MESYLATE)
CAS:131543-23-2
Formula: C27H26N2O3 • CH3SO3H
1.0009e+007
O=C(C1=CC=CC2=C1C=CC=C2)C3=C(C)N(C4=C3C=CC=C4OC5)[C@@H]5CN6CCOCC6.CS(=O)(O)=O
(-)-(A)-KAINIC ACID (HYDRATE)
CAS:58002-62-3
Formula: C10H15NO4 • H2O
78050
[H]N1C[C@H](C(C)=C)[C@H](CC(O)=O)[C@H]1C(O)=O.O
(-)-(S)-CATHINONE (HYDROCHLORIDE)
CAS:72739-14-1
Formula: C9H11NO • HCl
13869
O=C([C@@H](N)C)C1=CC=CC=C1.Cl
(-)-11-hydroxy-?8-Tetrahydrocannabivarin
CAS:1421594-84-4
Formula: C19H26O3
36630
CC1(C)[C@@]2([H])[C@](CC(CO)=CC2)([H])C3=C(C=C(CCC)C=C3O)O1
(-)-11-HYDROXY-?8-THC
CAS:28646-40-4
Formula: C21H30O3
29469
[H][C@]12C3=C(C=C(CCCCC)C=C3O)OC(C)(C)[C@]1([H])CC=C(CO)C2
(-)-11-hydroxy-?8-THC-d3
Formula: C21H27D3O3
37040
[H][C@]12C3=C(C=C(CCCCC([2H])([2H])[2H])C=C3O)OC(C)(C)[C@]1([H])CC=C(CO)C2
(-)-11-hydroxy-?9-THC
CAS:36557-05-8
Formula: C21H30O3
14239
[H][C@]12C3=C(C=C(CCCCC)C=C3O)OC(C)(C)[C@]1([H])CCC(CO)=C2
(-)-11-nor-9-carboxy-?8-Tetrahydrocannabivarin
Formula: C19H24O4
36631
CC1(C)[C@@]2([H])[C@](CC(C(O)=O)=CC2)([H])C3=C(C=C(CCC)C=C3O)O1
(-)-11-NOR-9-CARBOXY-?8-THC
CAS:39690-06-7
Formula: C21H28O4
25270
CC1(C)[C@H]2[C@@H](CC(C(O)=O)=CC2)C3=C(C=C(CCCCC)C=C3O)O1
(-)-11-nor-9-carboxy-?8-THC-d3
CAS:949596-06-9
Formula: C21H25D3O4
37041
CC1(C)[C@@]2([H])[C@](CC(C(O)=O)=CC2)([H])C3=C(C=C(CCCCC([2H])([2H])[2H])C=C3O)O1
(-)-3,4-METHYLENEDIOXY PYROVALERONE (HYDROCHLORIDE)
Formula: C16H21NO3 • HCl
14525
O=C(C(CCC)N1CCCC1)C2=CC(OCO3)=C3C=C2.Cl
(-)-7-nor-7-carboxy Cannabidiol
CAS:63958-77-0
Formula: C21H28O4
21637
OC(C=C(C=C1O)CCCCC)=C1[C@H]2[C@H](C(C)=C)CCC(C(O)=O)=C2
(-)-A-THUJONE
CAS:546-80-5
Formula: C10H16O
39792
CC([C@]12[C@]([C@H](C(C2)=O)C)([H])C1)C
(-)-APOMORPHINE (HYDROCHLORIDE HYDRATE)
CAS:58117-94-5
Formula: C17H17NO2 • HCl [XH2O]
16094
CN(CC1)[C@]2([H])CC3=CC=C(O)C(O)=C3C4=C2C1=CC=C4.Cl.O
(-)-APOMORPHINE (HYDROCHLORIDE)
CAS:314-19-2
Formula: C17H17NO2 • HCl
34222
CN(CC1)[C@]2([H])CC3=CC=C(O)C(O)=C3C4=C2C1=CC=C4.Cl
(-)-CARYOPHYLLENE OXIDE
CAS:1139-30-6
Formula: C15H24O
21573
CC(C1)(C)[C@@]2([H])[C@@]1([H])C(CC[C@@H]3[C@](C)(O3)CC2)=C
(-)-CATECHIN
CAS:18829-70-4
Formula: C15H14O6
18644
OC1=CC2=C(C[C@@H](O)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O)=C1
(-)-CATECHIN GALLATE
CAS:130405-40-2
Formula: C22H18O10
24963
OC1=CC([C@H]2[C@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)CC4=C(O)C=C(O)C=C4O2)=CC=C1O
(-)-COTININE
CAS:486-56-6
Formula: C10H12N2O
15314
O=C1CC[C@@H](C2=CN=CC=C2)N1C
(-)-CP 47,497
CAS:114753-51-4
Formula: C21H34O2
10917
O[C@H]1C[C@@H](C2=CC=C(C(C)(C)CCCCCC)C=C2O)CCC1
(-)-DEGUELIN
CAS:522-17-8
Formula: C23H22O6
1.00107e+007
COC1=CC2=C(C=C1OC)OC[C@]3([H])[C@@]2([H])C(C(C=CC4=C5C=CC(C)(C)O4)=C5O3)=O
(-)-DEHYDRO GRISEOFULVIN
CAS:3573-90-8
Formula: C17H15ClO6
33117
O=C1[C@@]2(C(C)=CC(C=C2OC)=O)OC3=C(Cl)C(OC)=CC(OC)=C31
(-)-DRIMENOL
CAS:468-68-8
Formula: C15H26O
29428
CC1=CC[C@@]2([H])C(C)(C)CCC[C@]2(C)[C@H]1CO
(-)-EBURNAMONINE
CAS:4880-88-0
Formula: C19H22N2O
37569
CC[C@]12[C@@]3([H])C4=C(CCN3CCC1)C5=CC=CC=C5N4C(C2)=O
(-)-EPICATECHIN
CAS:490-46-0
Formula: C15H14O6
11807
OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O)=C1
(-)-EPICATECHIN GALLATE
CAS:1257-08-5
Formula: C22H18O10
11808
OC1=CC2=C(C[C@@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)[C@@H](C4=CC=C(O)C(O)=C4)O2)C(O)=C1
(-)-EPIGALLOCATECHIN
CAS:970-74-1
Formula: C15H14O7
11809
OC1=CC2=C(C[C@@H](O)[C@@H](C3=CC(O)=C(O)C(O)=C3)O2)C(O)=C1
(-)-EPIGALLOCATECHIN GALLATE
CAS:989-51-5
Formula: C22H18O11
70935
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
(-)-EPIGALLOCATECHIN GALLATE-D3/D4
Formula: C22H15D3O11 (for d3)
25467
OC(C(O)=C1[2H])=C(O)C=C1[C@@H](O2)[C@H](OC(C3=C([2H])C(O)=C(O)C(O)=C3[2H])=O)CC4=C2C=C(O)C=C4O.OC(C(O)=C5[2H])=C(O)C([2H])=C5[C@@H](O6)[C@H](OC(C7=C([2H])C(O)=C(O)C(O)=C7[2H])=O)CC8=C6C=C(O)C=C8O
(-)-G-LACTONE
CAS:43119-28-4
Formula: C7H8O2
30488
O=C1C[C@@]2([H])[C@@](CC=C2)([H])O1
(-)-GALLOCATECHIN
CAS:3371-27-5
Formula: C15H14O7
16944
OC1=CC([C@H]2[C@H](O)CC3=C(O)C=C(O)C=C3O2)=CC(O)=C1O
(-)-GALLOCATECHIN GALLATE
CAS:4233-96-9
Formula: C22H18O11
24962
OC1=CC([C@H]2[C@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)CC4=C(O)C=C(O)C=C4O2)=CC(O)=C1O
(-)-GUAIOL
CAS:489-86-1
Formula: C15H26O
23172
CC(O)(C)[C@H](CC[C@@H]1C)CC2=C1CC[C@@H]2C
(-)-INDOLACTAM V
CAS:90365-57-4
Formula: C17H23N3O2
14647
O=C([C@H](C(C)C)N1C)N[C@H](CO)CC2=CNC3=CC=CC1=C23
(-)-ISOCORYPALMINE
CAS:483-34-1
Formula: C20H23NO4
29886
COC1=CC=C2C(CN(CCC3=C4C=C(O)C(OC)=C3)[C@@]4([H])C2)=C1OC
(-)-ISOPULEGOL
CAS:89-79-2
Formula: C10H18O
23161
CC([C@@H]1CC[C@@H](C)C[C@H]1O)=C
(-)-ISOXANTHOHUMOL
CAS:70872-29-6
Formula: C21H22O5
25105
OC1=CC(OC)=C(C(C[C@@H](C2=CC=C(O)C=C2)O3)=O)C3=C1C/C=C(C)/C
(-)-JQ1
CAS:1268524-71-5
Formula: C23H25ClN4O2S
11232
ClC1=CC=C(C=C1)C2=N[C@H](CC(OC(C)(C)C)=O)C3=NN=C(C)N3C4=C2C(C)=C(C)S4
(-)-L-THREO-PDMP (HYDROCHLORIDE)
CAS:161491-04-9
Formula: C23H38N2O3 • HCl
1.00053e+007
CCCCCCCCCC(N[C@H]([C@@H](O)C1=CC=CC=C1)CN2CCOCC2)=O.Cl
(-)-Levamisole
CAS:14769-73-4
Formula: C11H12N2S
33972
[H][C@]1(N=C(SCC2)N2C1)C3=CC=CC=C3
(-)-MK-801 (MALEATE)
CAS:121917-57-5
Formula: C16H15N • C4H4O4
27213
[H][C@]12CC3=C(C=CC=C3)[C@](N2)(C)C4=CC=CC=C41.OC(/C=C\C(O)=O)=O
(-)-NEPLANOCIN A
CAS:72877-50-0
Formula: C11H13N5O3
10584
OCC1=C[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O
(-)-NUTLIN-3
CAS:675576-98-4
Formula: C30H30Cl2N4O4
18585
ClC1=CC=C([C@@H]2[C@H](C3=CC=C(Cl)C=C3)N=C(C4=CC=C(OC)C=C4OC(C)C)N2C(N5CCN([H])C(C5)=O)=O)C=C1
(-)-PENTAZOCINE
CAS:7488-49-5
Formula: C19H27NO
15912
C[C@@]1([C@@]2([H])C)C3=C(C=CC(O)=C3)C[C@@]2([H])N(C/C=C(C)/C)CC1
(-)-PERILLYL ALCOHOL
CAS:18457-55-1
Formula: C10H16O
21860
CC([C@@H]1CC=C(CO)CC1)=C
(-)-PINORESINOL
CAS:81446-29-9
Formula: C20H22O6
36850
[H][C@](OC1)(C2=CC(OC)=C(O)C=C2)[C@@]3([H])[C@]1([H])[C@]([H])(C4=CC(OC)=C(O)C=C4)OC3
(-)-PROPOXYPHENE (HYDROCHLORIDE)
CAS:1596-70-9
Formula: C22H29NO2 • HCl
22769
C[C@@H](CN(C)C)[C@](C1=CC=CC=C1)(OC(CC)=O)CC2=CC=CC=C2.Cl
(-)-ROLIPRAM
CAS:85416-75-7
Formula: C16H21NO3
31111
COC1=CC=C([C@@]2([H])CC(NC2)=O)C=C1OC3CCCC3
(-)-RUGULOSIN
CAS:21884-45-7
Formula: C30H22O10
25477
CC1=CC(O)=C(C(C2=C(O)[C@@]3([H])[C@@]4(C(C5=CC(C)=CC(O)=C5C6=O)=O)C6=C(O)[C@]([H])([C@@](O)([H])[C@@]4([H])[C@]7([H])[C@@]3([H])O)[C@@]27C8=O)=O)C8=C1
(-)-ß-Sesquiphellandrene
CAS:20307-83-9
Formula: C15H24
35749
C/C(C)=C\CC[C@@H]([C@@]1([H])CCC(C=C1)=C)C
(-)-SWEROSIDE
CAS:14215-86-2
Formula: C16H22O9
33454
C=C[C@@H]1[C@@]2([H])C(C(OCC2)=O)=CO[C@H]1O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO
(-)-SYRINGARESINOL DI-O-GLUCOSIDE
CAS:66791-77-3
Formula: C34H46O18
36672
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=C(OC)C=C([C@]3([H])OC[C@]4([H])[C@@]3([H])CO[C@@]4([H])C5=CC(OC)=C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C(OC)=C5)C=C2OC)O1
(-)-TERPINEN-4-OL
CAS:20126-76-5
Formula: C10H18O
38964
CC1=CC[C@@](O)(C(C)C)CC1
(-)-TRANS-C75
CAS:1234694-22-4
Formula: C14H22O4
9.00078e+006
CCCCCCCC[C@H](OC1=O)[C@H](C(O)=O)C1=C
(-)-VIRIDITOXIN
CAS:1381782-08-6
Formula: C34H30O14
26601
OC1=CC(OC)=[C@]([C@]2=C(OC)C=C(O)C3=C2C=C(C[C@@H](CC(OC)=O)OC4=O)C4=C3O)C5=C1C(O)=C6C(C[C@@H](CC(OC)=O)OC6=O)=C5
(-)-VOACANGARINE
CAS:545-84-6
Formula: C22H28N2O4
25468
[H][C@]12[C@]([C@@H](O)C)([H])C[C@]3([H])C[C@@]1(C(OC)=O)C4=C(C(C=C(OC)C=C5)=C5N4)CC[N@]2C3
(-)-WIN 55,212-3 (MESYLATE)
CAS:131543-25-4
Formula: C27H26N2O3 • CH3SO3H
12022
CC1=C(C(C2=CC=CC3=C2C=CC=C3)=O)C4=CC=CC(OC5)=C4N1[C@H]5CN6CCOCC6.CS(=O)(O)=O
(–)-2-Fluorodeoxyarbutin
Formula: C11H13FO3
9.00111e+006
OC1=C(F)C=C(OC2OCCCC2)C=C1
(–)-7-HYDROXY CANNABIDIOL
CAS:50725-17-2
Formula: C21H30O3
36517
OC(C=C(C=C1O)CCCCC)=C1[C@H]2[C@H](C(C)=C)CCC(CO)=C2
(–)-A-BISABOLOL
CAS:23089-26-1
Formula: C15H26O
9.0025e+006
CC1=CC[C@]([C@](O)(C)CC/C=C(C)\C)([H])CC1
(–)-BLEBBISTATIN
CAS:856925-71-8
Formula: C18H16N2O2
13013
CC1=CC2C(C=C1)N=C1N(CC[C@@]1(O)C2=O)c1ccccc1
(–)-CHAETOMININE
CAS:918659-56-0
Formula: C22H18N4O4
13135
O=C1N([C@H]2C)[C@]3([H])[C@](C4=CC=CC=C4N3C2=O)(O)C[C@H]1N5C=NC(C=CC=C6)=C6C5=O
(–)-CRYPTOPLEURINE
CAS:482-22-4
Formula: C24H27NO3
31642
COC1=CC2=C3C(CN4[C@@](CCCC4)([H])C3)=C5C(C=C(C=C5)OC)=C2C=C1OC
(–)-CYCLOPENOL
CAS:20007-85-6
Formula: C17H14N2O4
27723
O=C1[C@@]2([C@@H](C3=CC=CC(O)=C3)O2)N(C)C(C(C=CC=C4)=C4N1)=O
(–)-HIMGALINE
CAS:16585-08-3
Formula: C20H31NO2
29990
OC12C[C@]3([H])C[C@@]4([H])N([C@@H](C)CC[C@]42[H])C51C[C@@H](O)[C@]6([H])CCCC[C@@]6([H])[C@@]53[H]
(–)-KREYSIGINE
CAS:23117-57-9
Formula: C22H27NO5
31422
OC1=C2C3=C(CCN([C@]3([H])CCC4=CC(OC)=C(OC)C(OC)=C42)C)C=C1OCOC1=C2C3=C(CCN([C@]3([H])CCC4=CC(OC)=C(OC)C(OC)=C42)C)C=C1OC
(–)-LUPININE
CAS:486-70-4
Formula: C10H19NO
33026
OC[C@H]1[C@]2([H])N(CCCC2)CCC1
(–)-MENTHOL
CAS:2216-51-5
Formula: C10H20O
30384
CC(C)[C@H]1[C@H](O)C[C@H](C)CC1
(–)-MYCOUSNINE
CAS:77480-55-8
Formula: C19H20O8
31784
CO[C@@]12[C@@](C3=C(O)C(C)=C(O)C(C(C)=O)=C3O1)(C(C(C(C)=O)=C(C2)O)=O)C
(–)-ROPIVACAINE (HYDROCHLORIDE HYDRATE)
CAS:132112-35-7
Formula: C17H26N2O • HCl [H2O]
21422
CC1=CC=CC(C)=C1NC([C@H]2N(CCC)CCCC2)=O.Cl.O
(–)-ROPIVACAINE-D7 (HYDROCHLORIDE)
CAS:1217667-10-1
Formula: C17H19D7N2O • HCl
26495
CC1=CC=CC(C)=C1NC([C@H]2N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])CCCC2)=O.Cl
(–)-SECURININE
CAS:5610-40-2
Formula: C13H15NO2
24902
[H][C@]12N(CCCC2)[C@@]([H])(CC13O4)C=CC3=CC4=O
(–)-SINOACUTINE
CAS:4090-18-0
Formula: C19H21NO4
29889
COC1=C[C@@]2(C3=C(O)C(OC)=CC=C3C[C@@H]4N(C)CC2)C4=CC1=O
(–)-SITAGLIPTIN (PHOSPHATE)
CAS:654671-78-0
Formula: C16H15F6N5O • H3PO4
13252
FC1=CC(C[C@@H](N)CC(N2CC3=NN=C(C(F)(F)F)N3CC2)=O)=C(F)C=C1F.O=P(O)(O)O
(–)-SITAGLIPTIN CARBAMOYL GLUCURONIDE
CAS:940002-59-5
Formula: C23H23F6N5O9
26629
FC1=CC(C[C@@H](NC(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=O)CC(N3CC4=NN=C(C(F)(F)F)N4CC3)=O)=C(F)C=C1F
(–)-STEPHOLIDINE
CAS:16562-13-3
Formula: C19H21NO4
26612
OC1=CC2=C(C=C1OC)CCN3CC4=C(OC)C(O)=CC=C4C[C@]32[H]
(–)-THALIDOMIDE
CAS:841-67-8
Formula: C13H10N2O4
14967
O=C1N([C@@H]2C(NC(CC2)=O)=O)C(C3=CC=CC=C31)=O
(±)-2-AMINO-6,7-DIHYDROXY-1,2,3,4-TETRAHYDRONAPHTHALENE (HYDROBROMIDE)
CAS:13575-86-5
Formula: C10H13NO2 • HBr
23866
NC1CCC2=CC(O)=C(O)C=C2C1.Br
(±)-2-HYDROXY IBUPROFEN
CAS:51146-55-5
Formula: C13H18O3
26595
CC(C(O)=O)C1=CC=C(CC(O)(C)C)C=C1
(±)-3-methyl Nimetazepam
CAS:89141-65-1
Formula: C17H15N3O3
38630
CN1C2=CC=C([N+]([O-])=O)C=C2C(C3=CC=CC=C3)=NC(C)C1=O
(±)-3-methyl Nitrazepam
CAS:4928-07-8
Formula: C16H13N3O3
40627
O=C1C(C)N=C(C2=CC=CC=C2)C3=C(C=CC([N+]([O-])=O)=C3)N1
(±)-4-CMTB
CAS:300851-67-6
Formula: C14H15ClN2OS
29680
ClC1=CC=C(C(C(C)C)C(NC2=NC=CS2)=O)C=C1
(±)-4-HYDROXY PROPRANOLOL (HYDROCHLORIDE)
CAS:14133-90-5
Formula: C16H21NO3 • HCl
18630
OC1=CC=C(OCC(O)CNC(C)C)C2=C1C=CC=C2.Cl
(±)-4-hydroxy Propranolol ß-D-Glucuronide
CAS:94731-13-2
Formula: C22H29NO9
22383
OC(CNC(C)C)COC1=CC=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)C3=C1C=CC=C3
(±)-5,7-DIMETHYLTOCOL
CAS:493-35-6
Formula: C28H48O2
27194
OC1=C(C)C(CCC(CCCC(CCCC(CCCC(C)C)C)C)(C)O2)=C2C=C1C
(±)-6-PRENYLNARINGENIN
CAS:68682-01-9
Formula: C20H20O5
34499
O=C1C2=C(C(C/C=C(C)\C)=C(C=C2OC(C1)C3=CC=C(C=C3)O)O)O
(±)-9-NOR-9A-HYDROXY HEXAHYDROCANNABINOL
CAS:56469-26-2
Formula: C20H30O3
36256
CC1(C)[C@@]2([H])[C@](C[C@@H](O)CC2)([H])C3=C(C=C(CCCCC)C=C3O)O1
(±)-9-nor-9ß-hydroxy Hexahydrocannabinol
CAS:56469-25-1
Formula: C20H30O3
36257
CC1(C)[C@@]2([H])[C@](C[C@H](O)CC2)([H])C3=C(C=C(CCCCC)C=C3O)O1
(±)-9A-HYDROXY HEXAHYDROCANNABINOL
CAS:16964-49-1
Formula: C21H32O3
36129
CC1(C)[C@]2([H])CC[C@@](O)(C)C[C@@]2([H])C3=C(C=C(CCCCC)C=C3O)O1
(±)-9ß-hydroxy Hexahydrocannabinol
Formula: C21H32O3
35266
CC1(C)[C@]2([H])CC[C@](O)(C)C[C@@]2([H])C3=C(C=C(CCCCC)C=C3O)O1
(±)-A-BISABOLOL
CAS:515-69-5
Formula: C15H26O
31397
CC1=CC[C@@]([C@@](O)(C)CC/C=C(C)\C)([H])CC1
(±)-A-CMBHC
CAS:7083-09-2
Formula: C19H28O4
1.00087e+007
CC1=C(C)C(O)=C(C)C2=C1OC(CCCC(C)C(O)=O)(C)CC2
(±)-A-TOCOPHEROL
CAS:10191-41-0
Formula: C29H50O2
25985
CC1=C2C(CCC(CCCC(C)CCCC(C)CCCC(C)C)(C)O2)=C(C)C(O)=C1C
(±)-A-TOCOPHEROL ACETATE
CAS:7695-91-2
Formula: C31H52O3
28399
CC1=C2C(CCC(CCCC(C)CCCC(C)CCCC(C)C)(C)O2)=C(C)C(OC(C)=O)=C1C
(±)-A-TOCOPHEROL ACETATE-D3
CAS:2742364-46-9
Formula: C31H49D3O3
30081
CC1=C2C(CC[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)O2)=C(C)C(OC(C([2H])([2H])[2H])=O)=C1C
(±)-ALLIIN
CAS:17795-26-5
Formula: C6H11NO3S
14001
C=CCS(C[C@H](N)C(O)=O)=O
(±)-ANABASINE (HYDROCHLORIDE)
Formula: C10H14N2 • XHCl
18206
C1(C2NCCCC2)=CN=CC=C1.Cl
(±)-ASENAPINE
CAS:65576-45-6
Formula: C17H16ClNO
9.0005e+006
CN1C[C@]2([H])C3=C(C=CC(Cl)=C3)OC4=C(C=CC=C4)[C@@]2([H])C1
(±)-ASENAPINE-13C-D3 (HYDROCHLORIDE)
CAS:1261392-55-5
Formula: C16[13C]H13ClD3NO • HCl
31980
[H][C@]12C3=C(C=CC(Cl)=C3)OC4=C(C=CC=C4)[C@]1([H])CN([13C]([2H])([2H])[2H])C2.Cl
(±)-ATENOLOL
CAS:29122-68-7
Formula: C14H22N2O3
17250
NC(CC1=CC=C(OCC(O)CNC(C)C)C=C1)=O
(±)-ATENOLOL-D7
CAS:1202864-50-3
Formula: C14D7H15N2O3
30018
NC(CC1=CC=C(OCC(O)CNC(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])C=C1)=O
(±)-BAY 41-4109
CAS:298708-79-9
Formula: C18H13ClF3N3O2
26907
FC1=CC(F)=C(C2=NC(C)=C(C(OC)=O)C(C3=CC=C(F)C=C3Cl)N2)N=C1
(±)-BAY-1251152
CAS:1610358-53-6
Formula: C19H18F2N4O2S
35094
COC1=C(C2=C(F)C=NC(NC3=CC(CS(C)(=N)=O)=CC=N3)=C2)C=CC(F)=C1
(±)-BAY-K-8644
CAS:71145-03-4
Formula: C16H15F3N2O4
21479
O=C(OC)C1=C(C)N([H])C(C)=C([N+]([O-])=O)C1C2=CC=CC=C2C(F)(F)F
(±)-BLEBBISTATIN
CAS:674289-55-5
Formula: C18H16N2O2
13186
Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1
(±)-BORNYL ACETATE
CAS:76-49-3
Formula: C12H20O2
29617
C[C@@]1(C2(C)C)CC[C@H]2C[C@H]1OC(C)=O
(±)-C75
CAS:191282-48-1
Formula: C14H22O4
1.00053e+007
CCCCCCCC[C@H]1OC(=O)C(=C)C1C(=O)O
(±)-CAMPHENE
CAS:79-92-5
Formula: C10H16
24478
C=C1C2CCC(C2)C1(C)C
(±)-Cannabichromebutolic Acid
CAS:2691096-32-7
Formula: C21H28O4
29308
CCCCC1=CC2=C(C=CC(CC/C=C(C)/C)(C)O2)C(O)=C1C(O)=O
(±)-CANNABICHROMENIC ACID
CAS:185505-15-1
Formula: C22H30O4
36998
CCCCCC1=CC2=C(C=CC(CC/C=C(C)/C)(C)O2)C(O)=C1C(O)=O
(±)-Cannabichromephorolic Acid
CAS:2724239-87-4
Formula: C24H34O4
39459
OC1=C(C(O)=O)C(CCCCCCC)=CC2=C1C=CC(CC/C=C(C)/C)(C)O2
(±)-CATECHIN (HYDRATE)
Formula: C15H14O6 • XH2O
29175
OC1=CC(O)=C(C[C@H](O)[C@@H](C2=CC=C(O)C(O)=C2)O3)C3=C1.O
(±)-CIS-3-METHYL THIOFENTANYL (HYDROCHLORIDE)
CAS:131690-45-4
Formula: C21H28N2OS • HCl
22240
O=C(N(C1=CC=CC=C1)[C@@H]2[C@H](C)CN(CCC3=CC=CS3)CC2)CC.Cl
(±)-CIS-EPOXICONAZOLE-D4
Formula: C17H9D4ClFN3O
26771
ClC1=C([2H])C([2H])=C([2H])C([2H])=C1[C@H]2O[C@]2(CN3N=CN=C3)C4=CC=C(F)C=C4
(±)-CIS-ISOFENTANYL (HYDROCHLORIDE)
CAS:79278-68-5
Formula: C22H28N2O • HCl
24102
O=C(N(C1=CC=CC=C1)[C@@H]2CCN(CC3=CC=CC=C3)C[C@@H]2C)CC.Cl
(±)-CLIMBAZOLE
CAS:38083-17-9
Formula: C15H17ClN2O2
27968
CC(C)(C)C(C(OC1=CC=C(Cl)C=C1)N2C=NC=C2)=O
(±)-CLIMBAZOLE-D4
CAS:1185117-79-6
Formula: C15H13ClD4N2O2
27616
CC(C)(C)C(C(OC1=C([2H])C([2H])=C(Cl)C([2H])=C1[2H])N2C=CN=C2)=O
(±)-CLOPIDOGREL (HYDROCHLORIDE)
CAS:130209-90-4
Formula: C16H16ClNO2S • HCl
13657
ClC1=CC=CC=C1C(C(OC)=O)N2CCC(SC=C3)=C3C2.Cl
(±)-CLOPROSTENOL (SODIUM SALT)
CAS:55028-72-3
Formula: C22H28ClO6 • Na
16764
O[C@@H]1[C@H](C/C=C\CCCC([O-])=O)[C@@H](/C=C/[C@@H](O)COC2=CC=CC(Cl)=C2)[C@H](O)C1.[Na+]
(±)-CLORPRENALINE-D7
CAS:2748354-86-9
Formula: C11H9ClD7NO
27614
ClC1=C(C(O)CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])C=CC=C1
(±)-COTININE-D3
CAS:110952-70-0
Formula: C10H9D3N2O
15805
O=C(N1C([2H])([2H])[2H])CCC1C2=CC=CN=C2
(±)-CP 47,497
CAS:70434-82-1
Formula: C21H34O2
10913
O[C@H]1C[C@@H](C2=CC=C(C(C)(C)CCCCCC)C=C2O)CCC1
(±)-CP 47,497-C8-HOMOLOG
CAS:70434-92-3
Formula: C22H36O2
10908
O[C@H]1C[C@@H](C2=CC=C(C(C)(C)CCCCCCC)C=C2O)CCC1
(±)-CP 55,940
CAS:83003-12-7
Formula: C24H40O3
13241
O[C@H]1C[C@@H](C2=CC=C(C(C)(C)CCCCCC)C=C2O)[C@H](CCCO)CC1
(±)-CROMAKALIM
CAS:94470-67-4
Formula: C16H18N2O3
14601
CC1(C)[C@@H](O)[C@H](N2CCCC2=O)C3=C(C=CC(C#N)=C3)O1
(±)-DUNNIONE
CAS:521-49-3
Formula: C15H14O3
21943
O=C(C1=CC=CC=C1C2=C3C(C)(C)C(C)O2)C3=O
(±)-EFAVIRENZ-D5
CAS:2749807-27-8
Formula: C14H4ClD5F3NO2
25228
ClC1=CC=C2C(C(C#CC3([2H])C([2H])([2H])C3([2H])[2H])(C(F)(F)F)OC(N2)=O)=C1
(±)-EPI CP 47,497
CAS:70434-83-2
Formula: C21H34O2
10919
O[C@@H]1C[C@@H](C2=CC=C(C(C)(C)CCCCCC)C=C2O)CCC1
(±)-EQUOL
CAS:94105-90-5
Formula: C15H14O3
13184
OC1=CC=C(CC(C2=CC=C(O)C=C2)CO3)C3=C1
(±)-EQUOL 4'-SULFATE (SODIUM SALT)
CAS:1189685-28-6
Formula: C15H13O6S • Na
21440
OC1=CC=C(CC(C2=CC=C(OS([O-])(=O)=O)C=C2)CO3)C3=C1.[Na+]
(±)-ErSO
CAS:2407860-40-4
Formula: C22H13F6NO3
39676
O=C1NC2=C(C1(C3=CC=C(C=C3)OC(F)(F)F)C4=CC=C(O)C=C4)C=CC=C2C(F)(F)F
(±)-EX-527
CAS:49843-98-3
Formula: C13H13ClN2O
1.00098e+007
ClC(C=C1)=CC2=C1NC3=C2CCCC3C(N)=O
(±)-FELODIPINE-D5
CAS:1242281-38-4
Formula: C18H14Cl2D5NO4
30123
CC1=C(C(C(C(OC([2H])([2H])C([2H])([2H])[2H])=O)=C(N1)C)C2=C(C(Cl)=CC=C2)Cl)C(OC)=O
(±)-GOITRIN
CAS:13190-34-6
Formula: C5H7NOS
26382
S=C1OC(C=C)CN1
(±)-Hydroxycitric Acid (technical grade)
CAS:6205-14-7
Formula: C6H8O8
33191
O=C(CC(C(O)=O)(C(C(O)=O)O)O)O
(±)-IBUPROFEN
CAS:15687-27-1
Formula: C13H18O2
70280
CC(C)Cc1ccc(cc1)C(C)C(=O)O
(±)-IBUPROFEN-D3
CAS:121662-14-4
Formula: C13H15D3O2
18255
OC(C(C1=CC=C(CC(C)C)C=C1)C([2H])([2H])[2H])=O
(±)-IBUPROFEN-D3 (SODIUM SALT)
CAS:1219805-09-0
Formula: C13H14D3O2 • Na
36332
[O-]C(C(C1=CC=C(C=C1)CC(C)C)C([2H])([2H])[2H])=O.[Na+]
(±)-IBUTILIDE (HEMIFUMARATE)
CAS:122647-32-9
Formula: C20H36N2O3S • 1/2C4H4O4
15011
CS(NC1=CC=C(C(O)CCCN(CC)CCCCCCC)C=C1)(=O)=O.O=C(O)/C=C/C(O)=O
(±)-JASMONIC ACID-ISOLEUCINE
Formula: C18H29NO4
10740
C[C@@H](CC)[C@@H](C(O)=O)NC(C[C@H]([C@H]1C/C=C\CC)CCC1=O)=O
(±)-JWH 018 N-(2-HYDROXYPENTYL) METABOLITE
CAS:1936529-84-8
Formula: C24H23NO2
11119
O=C(C1=CN(CC(O)CCC)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4
(±)-JWH 018 N-(4-HYDROXYPENTYL) METABOLITE
CAS:1320363-47-0
Formula: C24H23NO2
10796
O=C(C1=CN(CCCC(O)C)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4
(±)-JWH 073 N-(3-HYDROXYBUTYL) METABOLITE
CAS:1320363-48-1
Formula: C23H21NO2
10795
O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCC(C)O)C4=CC=CC=C43
(±)-JWH 398 N-(4-HYDROXYPENTYL) METABOLITE-D5
CAS:2747914-17-4
Formula: C24H17ClD5NO2
14370
O=C(C1=C(C=CC=C2)C2=C(Cl)C=C1)C3=C([2H])N(CCCC(O)C)C4=C3C([2H])=C([2H])C([2H])=C4[2H]
(±)-LEFETAMINE (HYDROCHLORIDE)
CAS:24301-90-4
Formula: C16H19N • HCl
15566
CN(C)C(C1=CC=CC=C1)CC2=CC=CC=C2.Cl
(±)-LINALOOL-D3
CAS:1216673-02-7
Formula: C10H15D3O
9.00427e+006
C/C(C)=C/CCC(O)(C)/C([2H])=C([2H])/[2H]
(±)-LIQUIRITIGENIN
CAS:69097-97-8
Formula: C15H12O4
28823
O=C1C2=CC=C(O)C=C2OC(C3=CC=C(O)C=C3)C1
(±)-LISOFYLLINE
CAS:6493-06-7
Formula: C13H20N4O3
1.00108e+007
CC(O)CCCCn1c(=O)c2n(C)cnc2n(C)c1=O
(±)-LY367385
CAS:198419-90-8
Formula: C10H11NO4
33158
OC(C(C1=C(C=C(C=C1)C(O)=O)C)N)=O
(±)-LY426965 (HYDROCHLORIDE)
CAS:228418-81-3
Formula: C28H38N2O2 • 2HCl
32568
O=C(C(C)(CCN1CCN(CC1)C2=C(OC)C=CC=C2)C3=CC=CC=C3)C4CCCCC4.Cl.Cl
(±)-MARINOPYRROLE A
CAS:1227962-62-0
Formula: C22H12Cl4N2O4
34723
O=C(C1=CC=CC=C1O)C2=C(N3C(C(C4=CC=CC=C4O)=O)=CC(Cl)=C3Cl)C(Cl)=C(Cl)N2
(±)-MECLONAZEPAM
CAS:67027-56-9
Formula: C16H12ClN3O3
23110
O=C1C(C)N=C(C2=CC=CC=C2Cl)C3=C(C=CC([N+]([O-])=O)=C3)N1
(±)-MENTHOL
CAS:89-78-1
Formula: C10H20O
25753
C[C@H]1C[C@@H](O)[C@H](C(C)C)CC1
(±)-METHAMPHETAMINE-D14 (HYDROCHLORIDE)
CAS:2714414-13-6
Formula: C10HD14N • HCl
22681
[2H]C1=C(C([2H])([2H])C(C([2H])([2H])[2H])([2H])NC([2H])([2H])[2H])C([2H])=C([2H])C([2H])=C1[2H].Cl
(±)-METHAMPHETAMINE-D6 (HYDROCHLORIDE)
CAS:1219805-26-1
Formula: C10H9D6N • HCl
22833
CNC([2H])(C([2H])([2H])[2H])C([2H])([2H])C1=CC=CC=C1.Cl
(±)-Metomidate (hydrochloride)
CAS:35944-74-2
Formula: C13H14N2O2 • HCl
40921
O=C(OC)C1=CN=CN1C(C)C2=CC=CC=C2.Cl
(±)-MMT5-14
CAS:2719679-31-7
Formula: C39H55N6O8P
37829
N#C[C@@]1(C2=CC=C3N2N=CN=C3N)O[C@@H]([C@H]([C@H]1O)O)COP(OC4=CC=CC=C4)(N[C@@H](C)C(OCCCCCCCC/C=C\C/C=C\CCCCC)=O)=O
(±)-N-3-BENZYLNIRVANOL
CAS:93879-40-4
Formula: C18H18N2O2
27298
O=C(N1CC2=CC=CC=C2)C(C3=CC=CC=C3)(CC)NC1=O
(±)-N-DESMETHYL VENLAFAXINE (HYDROCHLORIDE)
CAS:93413-90-2
Formula: C16H25NO2 • HCl
35403
COC(C=C1)=CC=C1C(CNC)C2(O)CCCCC2.Cl
(±)-NEBIVOLOL-D4 (HYDROCHLORIDE)
CAS:2701283-32-9
Formula: C22H21D4F2NO4 • HCl
26659
FC1=CC=C2C(CCC(C(O)C([2H])([2H])NC([2H])([2H])C(O)C3CCC(C=C(F)C=C4)=C4O3)O2)=C1.Cl
(±)-NECROSTATIN-2
CAS:852391-15-2
Formula: C13H12ClN3O2
20924
O=C(C(N1)CC2=CNC3=C(Cl)C=CC=C32)N(C)C1=O
(±)-NLG-919
CAS:1402836-58-1
Formula: C18H22N2O
21509
OC(C1CCCCC1)CC2N3C(C4=CC=CC=C42)=CN=C3
(±)-NORNICOTINE
CAS:5746-86-1
Formula: C9H12N2
20505
C1(C2CCCN2)=CC=CN=C1
(±)-NUTLIN-3
CAS:548472-68-0
Formula: C30H30Cl2N4O4
1.00044e+007
C(=O)(N1[C@H]([C@H](N=C1C2=C(OC(C)C)C=C(OC)C=C2)C3=CC=C(Cl)C=C3)C4=CC=C(Cl)C=C4)N5CC(=O)NCC5
(±)-O-DESMETHYL VENLAFAXINE
CAS:93413-62-8
Formula: C16H25NO2
9.00188e+006
OC1=CC=C(C(CN(C)C)C2(O)CCCCC2)C=C1
(±)-O-DESMETHYL VENLAFAXINE-D6
CAS:1062605-69-9
Formula: C16H19D6NO2
15843
OC1=CC=C(C(CN(C([2H])([2H])[2H])C([2H])([2H])[2H])C2(O)CCCCC2)C=C1
(±)-PARA-OCTOPAMINE (HYDROCHLORIDE)
CAS:770-05-8
Formula: C8H11NO2 • HCl
14279
OC1=CC=C(C(CN)O)C=C1.Cl
(±)-Pellotine (hydrochloride)
CAS:26126-01-2
Formula: C13H19NO3 • HCl
39843
OC1=C(C(C)N(CC2)C)C2=CC(OC)=C1OC
(±)-PENTAZOCINE
CAS:359-83-1
Formula: C19H27NO
36658
OC1=CC=C2C([C@@](CCN3C/C=C(C)/C)(C)[C@@H](C)[C@H]3C2)=C1
(±)-PREGABALIN-13C3
CAS:1189980-48-0
Formula: C5[13C]3H17NO2
33879
CC(C)CC([13CH2]N)[13CH2][13C](O)=O
(±)-PROPRANOLOL (HYDROCHLORIDE)
CAS:318-98-9
Formula: C16H21NO2 • HCl
23349
OC(CNC(C)C)COC1=C2C(C=CC=C2)=CC=C1.Cl
(±)-PROPRANOLOL-D7
CAS:344298-99-3
Formula: C16H14D7NO2
25282
OC(CNC(C)C)COC1=C2C(C([2H])=C([2H])C([2H])=C2[2H])=C([2H])C([2H])=C1[2H]
(±)-ROLIPRAM
CAS:61413-54-5
Formula: C16H21NO3
1.00111e+007
COC(C=CC(C1CC(NC1)=O)=C2)=C2OC3CCCC3
(±)-SALSOLIDINE
CAS:5784-74-7
Formula: C12H17NO2
32953
COC1=C(C=C2C(C(C)NCC2)=C1)OC
(±)-SALSOLINOL (HYDROCHLORIDE)
CAS:79923-51-6
Formula: C10H13NO2 • HCl
15597
CC1NCCC2=C1C=C(O)C(O)=C2.Cl
(±)-SDZ-201 106
CAS:97730-95-5
Formula: C29H30N4O2
21356
OC(COC1=CC=CC2=C1C=C(C#N)N2)CN(CC3)CCN3C(C4=CC=CC=C4)C5=CC=CC=C5
(±)-SITAGLIPTIN-D4 (HYDROCHLORIDE)
CAS:2749855-96-5
Formula: C16H11D4F6N5O • HCl
25042
FC1=CC(CC(N)CC(N2CC3=NN=C(C(F)(F)F)N3C([2H])([2H])C2([2H])[2H])=O)=C(F)C=C1F.Cl
(±)-SKF 81297 (HYDROBROMIDE)
CAS:67287-39-2
Formula: C16H16ClNO2 • HBr
15067
OC1=CC2=C(C(Cl)=C1O)CCNCC2C3=CC=CC=C3.Br
(±)-SLV 319
CAS:362519-49-1
Formula: C23H20Cl2N4O2S
1.00092e+007
ClC(C=C1)=CC=C1C2=NN(/C(NC)=N/S(C3=CC=C(Cl)C=C3)(=O)=O)CC2C4=CC=CC=C4
(±)-ß-Hydroxybutyrate
CAS:300-85-6
Formula: C4H8O3
14148
CC(O)CC(O)=O
(±)-ß-Hydroxybutyrate-d4 (sodium salt)
CAS:1219804-68-8
Formula: C4H3D4O3 • Na
14158
OC(C([2H])([2H])[2H])([2H])CC([O-])=O.[Na+]
(±)-SULPIRIDE
CAS:15676-16-1
Formula: C15H23N3O4S
25984
NS(C1=CC(C(NCC2N(CC)CCC2)=O)=C(OC)C=C1)(=O)=O
(±)-SYNEPHRINE (HYDROCHLORIDE)
CAS:5985-28-4
Formula: C9H13NO2 • HCl
28398
OC1=CC=C(C(O)CNC)C=C1
(±)-TALINOLOL
CAS:57460-41-0
Formula: C20H33N3O3
16116
O=C(NC1CCCCC1)NC2=CC=C(OCC(O)CNC(C)(C)C)C=C2
(±)-TAXIFOLIN
CAS:24198-97-8
Formula: C15H12O7
18647
OC1=CC(O)=C(C([C@H](O)[C@@H](C2=CC=C(O)C(O)=C2)O3)=O)C3=C1
(±)-THREO-4-FLUOROETHYLPHENIDATE (HYDROCHLORIDE)
CAS:2740569-99-5
Formula: C15H20FNO2 • HCl
20020
FC1=CC=C([C@@H](C(OCC)=O)[C@@]2([H])CCCCN2)C=C1.Cl
(±)-threo-4-Methylmethylphenidate (hydrochloride)
CAS:680996-70-7
Formula: C15H21NO2 • HCl
35030
COC([C@H]([C@]1([H])CCCCN1)C2=CC=C(C=C2)C)=O.Cl
(±)-THREO-ETHYLPHENIDATE (HYDROCHLORIDE)
CAS:214149-46-9
Formula: C15H21NO2 • HCl
13896
O=C(OCC)[C@@H]([C@@]1([H])CCCCN1)C2=CC=CC=C2.Cl
(±)-THREO-METHYLPHENIDATE (HYDROCHLORIDE)
CAS:23655-65-4
Formula: C14H19NO2 • HCl
11639
O=C(OC)[C@H](C1=CC=CC=C1)[C@@]2([H])CCCCN2.Cl
(±)-THREO-PROPYLPHENIDATE (HYDROCHLORIDE)
CAS:2514950-54-8
Formula: C16H23NO2 • HCl
19268
O=C(OCCC)[C@H](C1=CC=CC=C1)[C@@]2([H])CCCCN2.Cl
(±)-TRANS-1,2-BIS(2-MERCAPTOACETAMIDO)CYCLOHEXANE
CAS:257641-01-3
Formula: C10H18N2O2S2
17249
O=C(CS)N[C@H]1[C@H](NC(CS)=O)CCCC1
(±)-TRANS-3-METHYL NORFENTANYL
CAS:33794-43-3
Formula: C15H22N2O
22695
C[C@H](CNCC1)[C@@H]1N(C(CC)=O)C2=CC=CC=C2
(±)-TRANS-3-METHYL THIOFENTANYL (HYDROCHLORIDE)
CAS:2748623-40-5
Formula: C21H28N2OS • HCl
22241
O=C(N(C1=CC=CC=C1)[C@H]2[C@H](C)CN(CCC3=CC=CS3)CC2)CC.Cl
(±)-TRANS-ACPD
CAS:67684-64-4
Formula: C7H11NO4
28849
OC([C@H]1CC[C@@](C(O)=O)(N)C1)=O
(±)-WARFARIN-D5
CAS:75472-93-4
Formula: C19H11D5O4
25432
O=C1OC2=CC=CC=C2C(O)=C1C(C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])CC(C)=O
(±)-WIN 55,212 (MESYLATE)
CAS:137795-17-6
Formula: C27H26N2O3 • CH3SO3H
10736
O=C(C1=CC=CC2=C1C=CC=C2)C3=C(C)N(C4=C3C=CC=C4OC5)C5CN6CCOCC6.CS(=O)(O)=O
(±)10,11-EDT
CAS:355016-20-5
Formula: C22H36O3
38935
OC(CCCCC/C=C\C[C@@H]1[C@@H](O1)C/C=C\C/C=C\CCCCC)=O
(±)13(14)-DIHDPA
CAS:1345275-24-2
Formula: C22H34O4
18175
CC/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\CCC(O)=O
(±)19(20)-EPDTE
CAS:1359721-83-7
Formula: C22H34O3
20331
CC[C@@H]1[C@@H](O1)C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(O)=O
(±)2-HOTrE
CAS:22324-71-6
Formula: C18H30O3
39100
CC/C=C\C/C=C\C/C=C\CCCCCCC(O)C(O)=O
(±)3-EPI CP 47,497-C8-HOMOLOG
Formula: C22H36O2
10918
O[C@@H]1C[C@@H](C2=CC=C(C(C)(C)CCCCCCC)C=C2O)CCC1
(±)4-HYDROXYMEPHENYTOIN
CAS:61837-65-8
Formula: C12H14N2O3
16124
CN(C(C(C1=CC=C(O)C=C1)(CC)N2)=O)C2=O
(±)5-EPI CP 55,940
CAS:2365471-91-4
Formula: C24H40O3
13803
O[C@@H]1C[C@@H](C2=CC=C(C(C)(C)CCCCCC)C=C2O)[C@H](CCCO)CC1
(±)7(8)-DIHDPA
CAS:168111-93-1
Formula: C22H34O4
10469
CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)C/C=C\CCC(O)=O
(±)8-Amino-7-Oxononanoic Acid (hydrochloride)
CAS:21286-96-4
Formula: C9H17NO3 • HCl
40973
NC(C)C(CCCCCC(O)=O)=O.Cl
(±)TRANS-2,5-BIS-(3,4,5-TRIMETHOXYPHENYL)-1,3-DIOXOLANE
CAS:116673-45-1
Formula: C21H26O8
60950
COC1=CC([C@H]2O[C@H](C3=CC(OC)=C(OC)C(OC)=C3)OC2)=CC(OC)=C1OC
(1'S)-DEHYDROPESTALOTIN
CAS:330582-38-2
Formula: C11H16O4
29453
O=C1C=C(OC)C=C([C@@H](O)CCCC)O1
(1H-INDOL-3-YL)(2,2,3,3-TETRAMETHYLCYCLOPROPYL)METHANONE
CAS:895152-66-6
Formula: C16H19NO
9.00197e+006
O=C(C1=CNC2=C1C=CC=C2)C3C(C)(C)C3(C)C
(1H-INDOL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS:819850-13-0
Formula: C13H16N2O2
1.00071e+007
O=C(OC(C)(C)C)NC1=C2C(NC=C2)=CC=C1
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (hydrochloride)
CAS:1402222-66-5
Formula: C9H9F2N • HCl
41102
FC1=C(F)C=CC([C@H]2[C@H](N)C2)=C1.Cl
(1R,3R)-3-BENZOIC ACID 3-CARBOXYCYCLOPENTYL ESTER
Formula: C13H14O4
11366
O=C(C1=CC=CC=C1)O[C@H]2C[C@H](C(O)=O)CC2
(1R,3R)-3-HYDROXYCYCLOPENTANE ACETIC ACID METHYL ESTER
Formula: C8H14O3
11384
O[C@H]1C[C@H](CC(OC)=O)CC1
(1R,3R)-3-HYDROXYCYCLOPENTANE CARBOXYLIC ACID BENZYL ESTER
CAS:946152-80-3
Formula: C13H16O3
11368
O[C@H]1C[C@H](C(OCC2=CC=CC=C2)=O)CC1
(1R,3R)-3-HYDROXYCYCLOPENTANE CARBOXYLIC ACID METHYL ESTER
CAS:1124175-25-2
Formula: C7H12O3
11372
O[C@H]1C[C@H](C(OC)=O)CC1
(1R,3S)-3-AMINO-CYCLOPENTANOL
CAS:1110772-05-8
Formula: C5H11NO
11357
N[C@H]1CC[C@@H](O)C1
(1R,3S)-3-AMINOCYCLOPENTANE CARBOXYLIC ACID
CAS:71830-08-5
Formula: C6H11NO2
11401
O=C(O)[C@@H]1CC[C@H](N)C1
(1R,3S)-3-HYDROXYCYCLOPENTANE ACETIC ACID
Formula: C7H12O3
11383
O[C@@H]1C[C@H](CC(O)=O)CC1
(1R,3S)-3-HYDROXYCYCLOPENTANE ACETIC ACID METHYL ESTER
Formula: C8H14O3
11387
O[C@@H]1C[C@H](CC(OC)=O)CC1
(1R,3S)-3-HYDROXYCYCLOPENTANE CARBOXYLIC ACID BENZYL ESTER
Formula: C13H16O3
11370
O[C@H]1C[C@@H](C(OCC2=CC=CC=C2)=O)CC1
(1R,3S)-3-HYDROXYCYCLOPENTANE CARBOXYLIC ACID METHYL ESTER
CAS:174292-59-2
Formula: C7H12O3
11374
O[C@@H]1C[C@H](C(OC)=O)CC1
(1R,4R)-N-desmethyl Sertraline (hydrochloride)
CAS:675126-09-7
Formula: C16H15Cl2N • HCl
35741
N[C@@H]1CC[C@H](C2=CC(Cl)=C(C=C2)Cl)C3=C1C=CC=C3.Cl
(1R,9S)-(–)-ß-Hydrastine
CAS:118-08-1
Formula: C21H21NO6
22363
CN1CCC2=C(C=C(OCO3)C3=C2)[C@]1([H])[C@]4([H])C(C=CC(OC)=C5OC)=C5C(O4)=O
(1S,2S)-(+)-PSEUDOEPHEDRINE
CAS:90-82-4
Formula: C10H15NO
14209
O[C@H]([C@@H](NC)C)C1=CC=CC=C1
(1S,3R)-3-AMINO-CYCLOPENTANOL
CAS:1036260-18-0
Formula: C5H11NO
11356
N[C@@H]1CC[C@H](O)C1
(1S,3R)-3-AMINOCYCLOPENTANE CARBOXYLIC ACID
CAS:71830-07-4
Formula: C6H11NO2
11402
O=C([C@H]1CC[C@@H](N)C1)O
(1S,3R)-3-BENZOIC ACID 3-CARBOXYCYCLOPENTYL ESTER
Formula: C13H14O4
11365
O=C(O)[C@H]1CC[C@@H](OC(C2=CC=CC=C2)=O)C1
(1S,3R)-3-HYDROXYCYCLOPENTANE ACETIC ACID
Formula: C7H12O3
11382
O[C@H]1C[C@@H](CC(O)=O)CC1
(1S,3R)-3-HYDROXYCYCLOPENTANE CARBOXYLIC ACID METHYL ESTER
CAS:1292307-06-2
Formula: C7H12O3
11375
O[C@H]1C[C@@H](C(OC)=O)CC1
(1S,3R)-RSL3
CAS:1219810-16-8
Formula: C23H21ClN2O5
19288
O=C(OC)[C@@H]1N(C(CCl)=O)[C@@H](C2=CC=C(C(OC)=O)C=C2)C3=C(C(C=CC=C4)=C4N3)C1
(1S,3S)-3-AMINOMETHYL-CYCLOPENTANOL
CAS:1007306-62-8
Formula: C6H13NO
11358
O[C@@H]1C[C@@H](CN)CC1
(1S,3S)-3-BENZOIC ACID 3-CARBOXYCYCLOPENTYL ESTER
Formula: C13H14O4
11364
OC([C@H]1CC[C@H](OC(C2=CC=CC=C2)=O)C1)=O
(1S,3S)-3-HYDROXYCYCLOPENTANE ACETIC ACID
Formula: C7H12O3
11381
O[C@@H]1C[C@@H](CC(O)=O)CC1
(1S,3S)-3-HYDROXYCYCLOPENTANE ACETIC ACID METHYL ESTER
Formula: C8H14O3
11385
O[C@@H]1C[C@@H](CC(OC)=O)CC1
(1S,3S)-3-HYDROXYCYCLOPENTANE CARBOXYLIC ACID BENZYL ESTER
Formula: C13H16O3
11369
O[C@@H]1C[C@@H](C(OCC2=CC=CC=C2)=O)CC1
(1S,4S)-N-desmethyl Sertraline (hydrochloride)
CAS:675126-10-0
Formula: C16H15Cl2N • HCl
15916
ClC(C=C1)=C(Cl)C=C1[C@H](CC[C@@H]2N)C3=C2C=CC=C3.Cl
(2-AMINO-5-BROMOPHENYL)(PYRIDIN-2-YL)METHANONE
CAS:1563-56-0
Formula: C12H9BrN2O
37940
O=C(C1=C(N)C=CC(Br)=C1)C2=CC=CC=N2
(25S)-?7-DAFACHRONIC ACID
CAS:949004-12-0
Formula: C27H42O3
14101
O=C1CC[C@@]2(C)[C@](CC=C3[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4[C@@H](CCC[C@H](C)C(O)=O)C)([H])C1
(2R)-Glycerol-O-ß-D-galactopyranoside
CAS:16232-91-0
Formula: C9H18O8
17218
O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OC[C@H](O)CO
(2R)-OCTYL-A-HYDROXYGLUTARATE
CAS:1391194-67-4
Formula: C13H24O5
16366
OC(CC[C@@H](O)C(OCCCCCCCC)=O)=O
(2R)-OCTYL-A-HYDROXYGLUTARATE-D17
CAS:2748638-78-8
Formula: C13H7D17O5
19694
OC(CC[C@@H](O)C(OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)=O
(2R,3S)-N-CBZ-6-OXO-2,3-DIPHENYLMORPHOLINE
CAS:100516-54-9
Formula: C24H21NO4
30497
O=C1O[C@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N(C(OCC4=CC=CC=C4)=O)C1
(2R,6R)-HYDROXYNORKETAMINE (HYDROCHLORIDE)
CAS:1430202-69-9
Formula: C12H14ClNO2 • HCl
19603
O=C1[C@H](O)CCC[C@]1(C2=C(Cl)C=CC=C2)N.Cl
(2S)-6-PRENYLNARINGENIN
CAS:68236-13-5
Formula: C20H20O5
35138
OC1=C2C(O[C@H](C3=CC=C(C=C3)O)CC2=O)=CC(O)=C1C/C=C(C)\C
(2S)-OCTYL-A-HYDROXYGLUTARATE
CAS:1391194-64-1
Formula: C13H24O5
16367
OC(CC[C@H](O)C(OCCCCCCCC)=O)=O
(2S)-OCTYL-A-HYDROXYGLUTARATE-D17
CAS:2748489-76-9
Formula: C13H7D17O5
19695
OC(CC[C@H](O)C(OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)=O
(3R)-HYDROXY QUINIDINE
CAS:60761-51-5
Formula: C20H24N2O3
23410
COC1=CC=C2C(C([C@H](O)[C@@]3([H])C[C@H]4[C@@](C=C)(O)C[N@@]3CC4)=CC=N2)=C1
(3R,5R)-ROSUVASTATIN (CALCIUM SALT)
CAS:1422515-55-6
Formula: C22H28FN3O6S • 1/2Ca
35381
CS(N(C)C1=NC(C(C)C)=C(C(C2=CC=C(C=C2)F)=N1)/C=C/[C@H](O)C[C@@H](O)CC([O-])=O)(=O)=O.CS(N(C)C3=NC(C(C)C)=C(C(C4=CC=C(C=C4)F)=N3)/C=C/[C@H](O)C[C@@H](O)CC([O-])=O)(=O)=O.[Ca+2]
(3R,8S)-FALCARINDIOL
CAS:225110-25-8
Formula: C17H24O2
30919
CCCCCCC/C=C\[C@H](O)C#CC#C[C@H](O)C=C
(3S)-HYDROXY QUINIDINE
CAS:53467-23-5
Formula: C20H24N2O3
23411
COC1=CC=C2C(C([C@H](O)[C@@]3([H])C[C@H]4[C@](C=C)(O)C[N@@]3CC4)=CC=N2)=C1
(3S,5S)-ATORVASTATIN (SODIUM SALT)
CAS:1428118-38-0
Formula: C33H34FN2O5 • Na
18465
O=C(C1=C(C(C)C)N(CC[C@H](O)C[C@H](O)CC([O-])=O)C(C2=CC=C(F)C=C2)=C1C3=CC=CC=C3)NC4=CC=CC=C4.[Na+]
(3ß,4ß,17ß)-17-(2-Pyridinylmethyl)androst-5-ene-3,4,17-triol
CAS:1393651-00-7
Formula: C25H35NO3
40438
C[C@@]12C3C(CC=C1[C@@H](O)[C@H](CC2)O)C4[C@](CC3)([C@](O)(CC5=NC=CC=C5)CC4)C
(4'-HYDROXY)PHENOXYBENZOIC ACID
CAS:35065-12-4
Formula: C13H10O4
29891
OC1=CC=C(OC2=CC=CC(C(O)=O)=C2)C=C1
(4-CARBOXYBUTYL-D4)TRIPHENYLPHOSPHONIUM (BROMIDE)
CAS:42932-63-8
Formula: C23H20D4O2P • Br
31254
[2H]C(C([2H])([2H])CC(O)=O)([2H])C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
(4-CHLORO-3,5-DIMETHYLPHENOXY)ACETIC ACID
CAS:19545-95-0
Formula: C10H11ClO3
16877
CC1=CC(OCC(O)=O)=CC(C)=C1Cl
(5E)-7-OXOZEAENOL
CAS:1198574-97-8
Formula: C19H22O7
29840
COC1=CC(O)=C(C(O[C@@H](C)C/C=C/C([C@@H](O)[C@@H](O)C/C=C/2)=O)=O)C2=C1
(5Z,2E)-CU-3
CAS:1815598-71-0
Formula: C16H12N2O4S3
37770
O=S(NN1C(/C(SC1=S)=C/C=C/C2=CC=CO2)=O)(C3=CC=CC=C3)=O
(6aR,9R)-11-nor-9-carboxy-?10-THC
Formula: C21H28O4
38235
CC(C)(OC1=C2C(O)=CC(CCCCC)=C1)[C@@](CC3)([H])C2=C[C@@H]3C(O)=O
(6R)-5,6,7,8-TETRAHYDRO-L-BIOPTERIN (HYDROCHLORIDE)
CAS:69056-38-8
Formula: C9H15N5O3 • 2HCl
81880
C[C@H](O)[C@H](O)[C@@](N1[H])([H])CN([H])C(N([H])C(N)=N2)=C1C2=O.Cl.Cl
(6R,S)-5,10-METHENYL-5,6,7,8-TETRAHYDROFOLIC ACID
CAS:7444-29-3
Formula: C20H21N7O6
31333
O=C1C2=C(NC[C@@]3([H])N2C=[N+](C4=CC=C(C(N[C@H](C([O-])=O)CCC(O)=O)=O)C=C4)C3)NC(N)=N1
(6R,S)-5,6,7,8-TETRAHYDROFOLIC ACID (HYDROCHLORIDE)
CAS:150731-85-4
Formula: C19H23N7O6 • 3HCl
20526
O=C1C2=C(NCC(CNC3=CC=C(C(N[C@H](C(O)=O)CCC(O)=O)=O)C=C3)N2)NC(N)=N1.Cl.Cl.Cl
(6S)-5,6,7,8-TETRAHYDRO-L-BIOPTERIN (SULFATE)
CAS:109784-74-9
Formula: C9H15N5O3 • XH2SO4
34671
O=S(O)(O)=O.O=C1C2=C(NC(N)=N1)NC[C@@](N2)([H])[C@@H](O)[C@@H](O)C
(6S)-TETRAHYDROFOLIC ACID
CAS:71963-69-4
Formula: C19H23N7O6
18263
O=C1C2=C(NC[C@H](CNC3=CC=C(C(N[C@H](C(O)=O)CCC(O)=O)=O)C=C3)N2)NC(N)=N1
(ALA1)-PAR4 (1-6) (MOUSE) (TRIFLUOROACETATE SALT)
Formula: C34H47N7O8 • XCF3COOH
27132
OC(C(F)(F)F)=O.[H]N[C@H](C(N[C@H](C(N1CCC[C@H]1C(NCC(N[C@@H](CCCCN)C(N[C@H](C(O)=O)CC2=CC=CC=C2)=O)=O)=O)=O)CC3=CC=C(O)C=C3)=O)C
(ALA1)-PAR4 (1-6) AMIDE (MOUSE) (TRIFLUOROACETATE SALT)
Formula: C34H48N8O7 • XCF3COOH
24258
NC([C@@H](NC([C@H](CCCCN)NC(CNC([C@H]1N(C([C@H](CC2=CC=C(O)C=C2)NC([C@H](C)N)=O)=O)CCC1)=O)=O)=O)CC3=CC=CC=C3)=O.FC(F)(C(O)=O)F
(Arg)9 (trifluoroacetate salt)
CAS:1228255-42-2
Formula: C54H110N36O10 • XCF3COOH
36714
N=C(N)NCCC[C@@H](C(O)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@@H](N)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O
(D)-PPA 1 (trifluoroacetate salt)
Formula: C70H98N20O21 • XCF3COOH
35647
OC(C=C1)=CC=C1C[C@@H](NC([C@H](N)CC(N)=O)=O)C(N[C@H](CO)C(N[C@H](CCCCN)C(N2[C@H](CCC2)C(N[C@H]([C@@H](O)C)C(N[C@H](CC(O)=O)C(N[C@H](CCCNC(N)=N)C(N[C@H](CCC(N)=O)C(N[C@@H](C(N[C@@H](C(N[C@@H](C(O)=O)CC3=CC=CC=C3)=O)CC4=CN=CN4)=O)CC5=CC=C(C=C5)O)=O)=O)=O)=O
(D)2-RH 110 (TRIFLUOROACETATE SALT)
Formula: C28H24N4O9 • XCF3COOH
28213
O=C([C@@H](N)CC(O)=O)NC1=CC=C(C2(C(C=CC=C3)=C3C(O2)=O)C(C=CC(NC([C@@H](N)CC(O)=O)=O)=C4)=C4O5)C5=C1.OC(C(F)(F)F)=O
(DES-ARG9)-BRADYKININ
CAS:15958-92-6
Formula: C44H61N11O10
31136
O=C(N1CCC[C@H]1C(N2CCC[C@H]2C(NCC(N[C@H](C(N[C@@H](CO)C(N3CCC[C@H]3C(N[C@H](C(O)=O)CC4=CC=CC=C4)=O)=O)=O)CC5=CC=CC=C5)=O)=O)=O)[C@H](CCCNC(N)=N)N[H]
(DES-OCTANOYL)-GHRELIN (HUMAN) (TRIFLUOROACETATE SALT)
Formula: C141H235N47O41 • XCF3COOH
25010
[H]NCC(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N1CCC[C@H]1C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCC
(E)-2-(2-CHLOROSTYRYL)-3,5,6-TRIMETHYLPYRAZINE
CAS:1000672-89-8
Formula: C15H15ClN2
9.0032e+006
CC1=C(C)N=C(C)C(/C=C/C2=CC=CC=C2Cl)=N1
(E)-2-HEXADECENAL
CAS:22644-96-8
Formula: C16H30O
17566
O=C([H])/C=C/CCCCCCCCCCCCC
(E)-5-(2-BROMOVINYL)URACIL
CAS:69304-49-0
Formula: C6H5BrN2O2
21030
O=C1NC(NC=C1/C=C/Br)=O
(E)-8-METHYL-6-NONENOIC ACID
CAS:59320-77-3
Formula: C10H18O2
16609
OC(CCCC/C=C/C(C)C)=O
(E)-ANETHOL
CAS:4180-23-8
Formula: C10H12O
29862
C/C=C/C1=CC=C(OC)C=C1
(E)-C-HDMAPP (AMMONIUM SALT)
CAS:933030-60-5
Formula: C6H14O7P2 • 3NH4
13151
[O-]P(OP([O-])(CC/C=C(CO)\C)=O)([O-])=O.[NH4+].[NH4+].[NH4+]
(E)-GUGGULSTERONE
CAS:39025-24-6
Formula: C21H28O2
1.00113e+007
O=C1CC[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC(/C4=C\C)=O)=C1
(E)-KPT-330
CAS:1421923-86-5
Formula: C17H11F6N7O
39562
O=C(NNC1=NC=CN=C1)/C=C/N2C=NC(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=N2
(E/Z)-4-HYDROXY TAMOXIFEN
CAS:68392-35-8
Formula: C26H29NO2
17308
CC/C(C1=CC=CC=C1)=C(C2=CC=C(O)C=C2)/C3=CC=C(OCCN(C)C)C=C3
(E/Z)-4-HYDROXY TAMOXIFEN-D5
CAS:2470232-57-4
Formula: C26H24D5NO2
34232
OC1=CC=C(C(C2=CC=C(OCCN(C)C)C=C2)=C(C3=CC=CC=C3)C([2H])([2H])C([2H])([2H])[2H])C=C1
(E/Z)-BELINOSTAT
CAS:414864-00-9
Formula: C15H14N2O4S
1.00043e+007
O=S(N([H])C1=CC=CC=C1)(C2=CC(/C=C/C(N([H])O)=O)=CC=C2)=O
(E/Z)-Droloxifene
CAS:165813-01-4
Formula: C26H29NO2
33406
CCC(C1=CC=CC=C1)=C(C2=CC(O)=CC=C2)C3=CC=C(C=C3)OCCN(C)C
(E/Z)-ENDOXIFEN
CAS:110025-28-0
Formula: C25H27NO2
21502
CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCNC)\C3=CC=C(C=C3)O
(E/Z)-IT-603
CAS:292168-90-2
Formula: C11H9BrN2O3S
37792
O=C1NC(NC1=CC2=C(O)C(OC)=CC(Br)=C2)=S
(E/Z)-LOCOSTATIN
CAS:133812-16-5
Formula: C14H15NO3
29092
O=C1N(C(/C=C/C)=O)[C@@H](CC2=CC=CC=C2)CO1
(GLP1)-APELIN-13 (TRIFLUOROACETATE SALT)
Formula: C69H108N22O16S • XCF3COOH
15590
O=C(N(CCC1)[C@@H]1C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCCCN)C(NCC(N(CCC2)[C@@H]2C(N[C@@H](CCSC)C(N(CCC3)[C@@H]3C(N[C@H](C(O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)CC5=CNC=N5)=O)=O)=O)=O)[C@H](CCCNC(N)=N)NC([C@@H](N6)CCC6=O)=O.
(R)-(+)-BAY-K-8644
CAS:98791-67-4
Formula: C16H15F3N2O4
15263
O=C(OC)C1=C(C)NC(C)=C([N+]([O-])=O)[C@@H]1C2=CC=CC=C2C(F)(F)F
(R)-(+)-Deoxyarbutin
Formula: C11H14O3
9.00109e+006
OC1=CC=C(OC2OCCCC2)C=C1
(R)-(+)-PULEGONE
CAS:89-82-7
Formula: C10H16O
23163
O=C(C[C@H](C)CC/1)C1=C(C)\C
(R)-(+)-TRITYL GLYCIDYL ETHER
CAS:65291-30-7
Formula: C22H20O2
34131
[C@@H]1(CO1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
(R)-(-)-2-PHENYLGLYCINOL
CAS:56613-80-0
Formula: C8H11NO
1.00071e+007
OC[C@H](N)C1=CC=CC=C1
(R)-(-)-3,4-MDMA (HYDROCHLORIDE)
CAS:69558-31-2
Formula: C11H15NO2 • HCl
33956
CN[C@H](C)CC1=CC(OCO2)=C2C=C1.Cl
(R)-(-)-JWH 073 N-(3-HYDROXYBUTYL) METABOLITE
Formula: C23H21NO2
10899
O=C(C1=CN(CCC(O)C)C2=C1C=CC=C2)C3=CC=CC4=CC=CC=C43
(R)-(-)-MELLEIN
CAS:480-33-1
Formula: C10H10O3
10311
CC(O1)CC2=C(C(O)=CC=C2)C1=O
(R)-(-)-METALAXYL-D6
CAS:1398112-32-7
Formula: C15H15D6NO4
39575
[2H]C([2H])([2H])C(C=CC=C1C([2H])([2H])[2H])=C1N([C@@H](C(OC)=O)C)C(COC)=O
(R)-(4-BROMOPHENYL)(PHENYL)METHANAMINE
CAS:220441-81-6
Formula: C13H12BrN
37310
N[C@H](C1=CC=CC=C1)C2=CC=C(C=C2)Br
(R)-2-(3-(2-Ethoxyphenoxy)piperidin-1-yl)pyrimidine-5-carboxylic Acid
CAS:1809064-89-8
Formula: C18H21N3O4
39257
O=C(C1=CN=C(N2CCC[C@@H](OC3=CC=CC=C3OCC)C2)N=C1)O
(R)-3-HYDROXY MYRISTIC ACID
CAS:28715-21-1
Formula: C14H28O3
16871
CCCCCCCCCCC[C@@H](O)CC(O)=O
(R)-3-OXO-CYCLOPENTANEACETIC ACID METHYL ESTER
Formula: C8H12O3
11415
O=C1C[C@H](CC(OC)=O)CC1
(R)-3-OXO-CYCLOPENTANECARBOXYLIC ACID METHYL ESTER
CAS:132076-27-8
Formula: C7H10O3
11416
O=C1C[C@H](C(OC)=O)CC1
(R)-4-AMINO-3-HYDROXYBUTYRIC ACID
CAS:7013-07-2
Formula: C4H9NO3
31532
OC(C[C@@H](O)CN)=O
(R)-A-LIPOIC ACID
CAS:1200-22-2
Formula: C8H14O2S2
27299
O=C(CCCC[C@H]1SSCC1)O
(R)-ACENOCOUMAROL
CAS:66556-77-2
Formula: C19H15NO6
9.00034e+006
O=C1C([C@@](CC(C)=O)([H])C2=CC=C([N+]([O-])=O)C=C2)=C(O)C3=CC=CC=C3O1
(R)-ASPARTIMIDE
CAS:404887-22-5
Formula: C4H6N2O2
31699
N[C@H]1C(NC(C1)=O)=O
(R)-BAY-598
CAS:1906920-28-2
Formula: C22H20Cl2F2N6O3
29174
ClC1=C(Cl)C=CC(C2=NN(/C(NC3=CC=CC(OC(F)F)=C3)=N\C#N)C[C@H]2N(C(CO)=O)CC)=C1
(R)-BENZYL MANDELATE
CAS:97415-09-3
Formula: C15H14O3
1.00071e+007
O[C@H](C1=CC=CC=C1)C(OCC2=CC=CC=C2)=O
(R)-CCG-1423
CAS:2309931-09-5
Formula: C18H13ClF6N2O3
20106
O=C(NO[C@H](C)C(NC1=CC=C(Cl)C=C1)=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2
(R)-CETIRIZINE (HYDROCHLORIDE)
CAS:130018-87-0
Formula: C21H25ClN2O3 • 2HCl
23992
ClC1=CC=C([C@H](N2CCN(CCOCC(O)=O)CC2)C3=CC=CC=C3)C=C1.Cl.Cl
(R)-CPP
CAS:126453-07-4
Formula: C8H17N2O5P
21569
OP(CCCN1CCN[C@@H](C(O)=O)C1)(O)=O
(R)-CR8
CAS:294646-77-8
Formula: C24H29N7O
14006
CC(C)N(C=N1)C2=C1C(NCC3=CC=C(C4=NC=CC=C4)C=C3)=NC(N[C@H](CC)CO)=N2
(R)-CRIZOTINIB
CAS:877399-52-5
Formula: C21H22Cl2FN5O
12087
NC1=C(O[C@@H](C2=C(Cl)C=CC(F)=C2Cl)C)C=C(C3=CN(C4CCNCC4)N=C3)C=N1
(R)-CRIZOTINIB-D5
CAS:1395950-84-1
Formula: C21H17Cl2D5FN5O
26762
NC1=C(O[C@@H](C2=C(Cl)C=CC(F)=C2Cl)C)C=C(C3=CN(C4([2H])C([2H])([2H])CNCC4([2H])[2H])N=C3)C=N1
(R)-EQUOL
CAS:221054-79-1
Formula: C15H14O3
1.00102e+007
OC1=CC=C2C(OC[C@@H](C3=CC=C(O)C=C3)C2)=C1
(R)-ErSO
CAS:2407860-35-7
Formula: C22H13F6NO3
35684
O=C1[C@@](C(C=C2)=CC=C2OC(F)(F)F)(C(C=C3)=CC=C3O)C4=CC=CC(C(F)(F)F)=C4N1
(R)-GYRAMIDE A (HYDROCHLORIDE)
CAS:1793050-70-0
Formula: C21H27FN2O3S • HCl
18528
CC(C)OC1=CC=C(CN2CC[C@@H](NS(C3=C(C)C=CC(F)=C3)(=O)=O)C2)C=C1.Cl
(R)-HYDROXYCHLOROQUINE (SULFATE)
CAS:2488706-20-1
Formula: C18H26ClN3O • H2SO4
33442
OCCN(CC)CCC[C@@H](C)NC1=CC=NC2=C1C=CC(Cl)=C2.O=S(O)(O)=O
(R)-IBUPROFEN
CAS:51146-57-7
Formula: C13H18O2
16794
OC([C@H](C)C1=CC=C(CC(C)C)C=C1)=O
(R)-IMPP
CAS:2133832-83-2
Formula: C24H27N3O2
20861
COC1=CC=C(CCC(N(C2=C(C=CC=C3)C3=CC=N2)[C@H]4CNCCC4)=O)C=C1
(R)-KETAMINE (HYDROCHLORIDE)
CAS:33795-24-3
Formula: C13H16ClNO • HCl
38398
O=C1CCCC[C@]1(C2=C(Cl)C=CC=C2)NC.Cl
(R)-KT109
CAS:2055172-60-4
Formula: C27H26N4O
25682
O=C(N1N=NC(C2=CC=C(C3=CC=CC=C3)C=C2)=C1)N4[C@@H](CC5=CC=CC=C5)CCCC4
(R)-LANSOPRAZOLE
CAS:138530-94-6
Formula: C16H14F3N3O2S
18235
CC1=C(C[S@](C2=NC(C=CC=C3)=C3N2)=O)N=CC=C1OCC(F)(F)F
(R)-LISOFYLLINE
CAS:100324-81-0
Formula: C13H20N4O3
13616
O=C(N(C)C1=C2N(C)C=N1)N(CCCC[C@H](O)C)C2=O
(R)-MEPHENYTOIN
CAS:71140-51-7
Formula: C12H14N2O2
25891
O=C1[C@@](CC)(C2=CC=CC=C2)NC(N1C)=O
(R)-MG132
CAS:1211877-36-9
Formula: C26H41N3O5
13697
O=CC[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
(R)-MODAFINIL
CAS:112111-43-0
Formula: C15H15NO2S
29910
O=[S@](CC(N)=O)C(C1=CC=CC=C1)C2=CC=CC=C2
(R)-NITRO-BLEBBISTATIN
CAS:1217619-62-9
Formula: C17H13N3O4
9.00194e+006
O=C1[C@]2(O)C(N(C3=CC=CC=C3)CC2)=NC4=C1C=CC([N+]([O-])=O)=C4
(R)-Norketamine (hydrochloride)
CAS:83777-68-8
Formula: C12H14ClNO • HCl
37821
O=C1CCCC[C@@]1(N)C2=CC=CC=C2Cl.Cl
(R)-OFLOXACIN
CAS:100986-86-5
Formula: C18H20FN3O4
29601
FC1=CC2=C3C(OC[C@@H](C)N3C=C(C(O)=O)C2=O)=C1N4CCN(C)CC4
(R)-OMEPRAZOLE (SODIUM SALT)
CAS:161796-77-6
Formula: C17H19N3O3S • Na
18874
COC1=CC=C2C(N=C([S@@](CC3=C(C)C(OC)=C(C)C=N3)=O)N2)=C1.[Na]
(R)-P7C3-OME
CAS:1235481-43-2
Formula: C22H20Br2N2O2
34412
COC1=CC=CC(NC[C@H](O)CN2C3=CC=C(Br)C=C3C4=CC(Br)=CC=C42)=C1
(R)-PFI-2 (HYDROCHLORIDE)
CAS:1627607-87-7
Formula: C23H25F4N3O3S • HCl
14678
O=S(C1=CC(CCNC2)=C2C(F)=C1)(N[C@H](CC3=CC(C(F)(F)F)=CC=C3)C(N4CCCC4)=O)=O.Cl
(R)-PRAMIPEXOLE (HYDROCHLORIDE)
CAS:104632-27-1
Formula: C10H17N3S • 2HCl
18234
CCCN[C@@H]1CCC(N=C(N)S2)=C2C1.Cl.Cl
(R)-ROSCOVITINE
CAS:186692-46-6
Formula: C19H26N6O
1.00096e+007
CC(C)N(C=N1)C2=C1C(NCC3=CC=CC=C3)=NC(N[C@@H](CO)CC)=N2
(R)-SLV 319
CAS:656827-86-0
Formula: C23H20Cl2N4O2S
1.00092e+007
C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)/N1N=C(c2ccc(Cl)cc2)[C@@H](C1)c1ccccc1
(R,S)-3,5-DHPG
CAS:146255-66-5
Formula: C8H9NO4
35912
O=C(C(C1=CC(O)=CC(O)=C1)N)O
(R,S)-3-HPG
CAS:31932-87-3
Formula: C8H9NO3
37479
O=C(C(C1=CC(O)=CC=C1)N)O
(R,S)-AMPA (HYDRATE)
Formula: C7H10N2O4 • XH2O
14571
OC1=NOC(C)=C1CC(N)C(O)=O.O
(R,S)-BHFF
CAS:123557-91-5
Formula: C17H21F3O3
25535
CC(C)(C)C1=C2C(C(O)(C(F)(F)F)C(O2)=O)=CC(C(C)(C)C)=C1
(R,S)-CARVEDILOL GLUCURONIDE
CAS:114869-83-9
Formula: C30H34N2O10
27173
COC1=C(OCCNCC(COC2=C3C4=C(NC3=CC=C2)C=CC=C4)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)C=CC=C1
(R,S)-CHPG
CAS:170846-74-9
Formula: C8H8ClNO3
21408
ClC1=C(C(N)C(O)=O)C=C(O)C=C1
(R,S)-HYDROXY RAMELTEON METABOLITE M-II
CAS:896736-21-3
Formula: C16H21NO3
33897
CC(O)C(NCC[C@H]1C2=C(CC1)C=CC3=C2CCO3)=O
(S)-(+)-2-HYDROXY-3-METHYLBUTYRIC ACID
CAS:17407-55-5
Formula: C5H10O3
1.00071e+007
CC([C@H](O)C(O)=O)C
(S)-(+)-3,4-MDMA (HYDROCHLORIDE)
CAS:69558-32-3
Formula: C11H15NO2 • HCl
26333
C[C@H](NC)CC1=CC(OCO2)=C2C=C1.Cl
(S)-(+)-CLOPIDOGREL-D3 (SULFATE)
Formula: C16H13ClD3NO2S • H2SO4
1.00107e+007
ClC(C=CC=C1)=C1[C@@H](C(OC([2H])([2H])[2H])=O)N2CCC3=C(C=CS3)C2.OS(=O)(O)=O
(S)-(+)-METHOPRENE
CAS:65733-16-6
Formula: C19H34O3
16807
CC(C)OC(/C=C(C)/C=C/C[C@@H](C)CCCC(OC)(C)C)=O
(S)-(-)-5-FLUOROWILLARDIINE (HYDROCHLORIDE)
CAS:1321546-70-6
Formula: C7H8FN3O4 • HCl
37372
OC([C@@H](N)CN1C(NC(C(F)=C1)=O)=O)=O.Cl
(S)-(-)-BAY-K-8644
CAS:98625-26-4
Formula: C16H15F3N2O4
19988
O=C(OC)C1=C(C)NC(C)=C([N+]([O-])=O)[C@H]1C2=CC=CC=C2C(F)(F)F
(S)-(-)-PROPRANOLOL (HYDROCHLORIDE)
CAS:4199-10-4
Formula: C16H21NO2 • HCl
17291
CC(C)NC[C@H](O)COC1=C2C(C=CC=C2)=CC=C1.Cl
(S)-(–)-Deoxyarbutin
Formula: C11H14O3
9.0011e+006
OC1=CC=C(OC2OCCCC2)C=C1
(S)-(–)-PERILLALDEHYDE
CAS:18031-40-8
Formula: C10H14O
29872
C=C(C)[C@@H]1CC=C(C=O)CC1
(S)-3'-AMINO BLEBBISTATIN
CAS:2097141-18-7
Formula: C18H17N3O2
24170
O=C1[C@@]2(O)C(N(C3=CC=CC(N)=C3)CC2)=NC4=C1C=C(C)C=C4
(S)-3'-HYDROXY BLEBBISTATIN
CAS:2097136-42-8
Formula: C18H16N2O3
24169
O=C1[C@@]2(O)C(N(C3=CC=CC(O)=C3)CC2)=NC4=C1C=C(C)C=C4
(S)-3,5-DHPG
CAS:162870-29-3
Formula: C8H9NO4
14411
OC1=CC([C@H](N)C(O)=O)=CC(O)=C1
(S)-3-HYDROXYBUTYRATE (SODIUM SALT)
CAS:127604-16-4
Formula: C4H7O3 • Na
21822
[O-]C(C[C@@H](O)C)=O.[Na+]
(S)-3-N-CBZ-AMINO-SUCCINIMIDE
CAS:60846-91-5
Formula: C12H12N2O4
28568
O=C(N[C@@H]1C(NC(C1)=O)=O)OCC2=CC=CC=C2
(S)-3-OXO-CYCLOPENTANEACETIC ACID METHYL ESTER
CAS:2630-38-8
Formula: C8H12O3
11417
O=C1C[C@@H](CC(OC)=O)CC1
(S)-3-OXO-CYCLOPENTANECARBOXYLIC ACID METHYL ESTER
CAS:132076-32-5
Formula: C7H10O3
11418
O=C1C[C@@H](C(OC)=O)CC1
(S)-3-THIENYLGLYCINE
CAS:1194-87-2
Formula: C6H7NO2S
30912
O=C(O)[C@@H](N)C1=CSC=C1
(S)-4'-NITRO-BLEBBISTATIN
CAS:1621326-32-6
Formula: C18H15N3O4
24171
O=C1[C@@]2(O)C(N(C3=CC=C([N+]([O-])=O)C=C3)CC2)=NC4=C1C=C(C)C=C4
(S)-5-hydroxy-6-methoxy Duloxetine (maleate)
Formula: C19H21NO3S • C4H4O4
39381
OC(/C=C\C(O)=O)=O.CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C(O)C(OC)=CC=C32
(S)-ACENOCOUMAROL
CAS:66556-78-3
Formula: C19H15NO6
9.00034e+006
O=C1C([C@](CC(C)=O)([H])C2=CC=C([N+]([O-])=O)C=C2)=C(O)C3=CC=CC=C3O1
(S)-ADB-BINACA-d5
Formula: C21H19D5N4O2
36753
O=C(N[C@H](C(N)=O)C(C)(C)C)C1=NN(CC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])C3=C1C=CC=C3
(S)-AL 8810
CAS:1224444-55-6
Formula: C24H31O4F
10023
O[C@@H]1[C@H](C/C=C\CCCC(O)=O)[C@@H](/C=C/[C@@H](O)C2CC(C=CC=C3)=C3C2)[C@@H](F)C1
(S)-ASPARTIMIDE
CAS:73537-92-5
Formula: C4H6N2O2
31700
N[C@@H]1C(NC(C1)=O)=O
(S)-BAY-598
CAS:1906919-67-2
Formula: C22H20Cl2F2N6O3
18238
ClC1=C(Cl)C=CC(C2=NN(/C(NC3=CC=CC(OC(F)F)=C3)=N\C#N)C[C@@H]2N(C(CO)=O)CC)=C1
(S)-CANADINE
CAS:5096-57-1
Formula: C20H21NO4
33805
COC1=C2CN3[C@](CC2=CC=C1OC)([H])C4=CC(OCO5)=C5C=C4CC3
(S)-CR8
CAS:1084893-56-0
Formula: C24H29N7O
29985
CC(C)N1C2=NC(N[C@H](CO)CC)=NC(NCC3=CC=C(C4=NC=CC=C4)C=C3)=C2N=C1
(S)-CRIZOTINIB
CAS:1374356-45-2
Formula: C21H22Cl2FN5O
31114
FC1=CC=C(Cl)C([C@H](C)OC2=CC(C3=CN(C4CCNCC4)N=C3)=CN=C2N)=C1Cl
(S)-DESOXY-D2PM (HYDROCHLORIDE)
CAS:188398-87-0
Formula: C17H19N • HCl
9.0011e+006
[C@@H]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1.Cl
(S)-DO271
CAS:2301865-01-8
Formula: C23H20Cl2F3N5O2S
30038
S=C(N[C@@H]1CN(C2=NC=CC(OC3=C(Cl)C=C(OC(F)(F)F)C=C3)=C2Cl)CCC1)NC4=CC=CN=C4
(S)-DULOXETINE (HYDROCHLORIDE)
CAS:136434-34-9
Formula: C18H19NOS • HCl
14317
CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl
(S)-EQUOL
CAS:531-95-3
Formula: C15H14O3
1.00102e+007
OC1=CC=C2C(OC[C@H](C3=CC=C(O)C=C3)C2)=C1
(S)-FLURBIPROFEN
CAS:51543-39-6
Formula: C15H13FO2
1.00042e+007
FC1=CC([C@@H](C(O)=O)C)=CC=C1C2=CC=CC=C2
(S)-H-1152 (HYDROCHLORIDE)
CAS:451462-58-1
Formula: C16H21N3O2S • 2HCl
1.00077e+007
CC1=CN=CC2=C1C(S(N3CCCNC[C@@H]3C)(=O)=O)=CC=C2.Cl.Cl
(S)-HYDROXYCHLOROQUINE (SULFATE)
CAS:155204-09-4
Formula: C18H26ClN3O • H2SO4
33443
OCCN(CC)CCC[C@H](C)NC1=CC=NC2=C1C=CC(Cl)=C2.O=S(O)(O)=O
(S)-IBUPROFEN
CAS:51146-56-6
Formula: C13H18O2
16793
OC([C@@H](C)C1=CC=C(CC(C)C)C=C1)=O
(S)-KETAMINE (HYDROCHLORIDE)
CAS:33643-47-9
Formula: C13H16ClNO • HCl
38399
O=C1CCCC[C@@]1(C2=C(Cl)C=CC=C2)NC.Cl
(S)-KETOROLAC
CAS:66635-92-5
Formula: C15H13NO3
11348
O=C(C1=CC=C2N1CC[C@@H]2C(O)=O)C3=CC=CC=C3
(S)-KT109
CAS:2055172-61-5
Formula: C27H26N4O
25683
O=C(N1N=NC(C2=CC=C(C3=CC=CC=C3)C=C2)=C1)N4[C@H](CC5=CC=CC=C5)CCCC4
(S)-LANSOPRAZOLE
CAS:138530-95-7
Formula: C16H14F3N3O2S
21967
CC1=C(C[S@@](C2=NC(C=CC=C3)=C3N2)=O)N=CC=C1OCC(F)(F)F
(S)-LISOFYLLINE
CAS:100324-80-9
Formula: C13H20N4O3
13617
O=C(N(C)C1=C2N(C)C=N1)N(CCCC[C@@H](O)C)C2=O
(S)-MCPG
CAS:150145-89-4
Formula: C10H11NO4
21450
C[C@@](N)(C(O)=O)C1=CC=C(C(O)=O)C=C1
(S)-MEPHENYTOIN
CAS:70989-04-7
Formula: C12H14N2O2
11913
O=C1[C@@](C2=CC=CC=C2)(CC)NC(N1C)=O
(S)-MG115
CAS:133407-86-0
Formula: C25H39N3O5
15413
O=C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@H](C([H])=O)CCC)=O)=O)CC(C)C)OCC1=CC=CC=C1
(S)-MG132
CAS:133407-82-6
Formula: C26H41N3O5
1.00126e+007
O=C[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
(S)-MODAFINIL
CAS:112111-47-4
Formula: C15H15NO2S
31565
O=[S@@](CC(N)=O)C(C1=CC=CC=C1)C2=CC=CC=C2
(S)-N-BOC-L-HOMOSERINE ETHYL ESTER
CAS:147325-09-5
Formula: C11H21NO5
30547
OCC[C@H](NC(OC(C)(C)C)=O)C(OCC)=O
(S)-NIFE
CAS:328406-65-1
Formula: C19H20N2O7
17431
O=C(N[C@H](C(OCCOC)=O)CC1=CC=CC=C1)OC2=CC=C([N+]([O-])=O)C=C2
(S)-NITRO-BLEBBISTATIN
CAS:856925-75-2
Formula: C17H13N3O4
13891
O=C1[C@@]2(O)C(N(C3=CC=CC=C3)CC2)=NC4=C1C=CC([N+]([O-])=O)=C4
(S)-Norketamine (hydrochloride)
CAS:83777-70-2
Formula: C12H14ClNO • HCl
37822
O=C1CCCC[C@]1(N)C2=CC=CC=C2Cl.Cl
(S)-O-DESMETHYL NAPROXEN
CAS:52079-10-4
Formula: C13H12O3
34199
OC([C@H](C1=CC2=C(C=C(C=C2)O)C=C1)C)=O
(S)-P38 MAPK INHIBITOR III
CAS:581098-48-8
Formula: C23H21FN4S
19696
FC1=CC=C(C2=C(C3=CC=NC(N[C@@H](C)C4=CC=CC=C4)=C3)N=C(SC)N2)C=C1
(S)-PFI-2 (HYDROCHLORIDE)
CAS:1627607-88-8
Formula: C23H25F4N3O3S • HCl
18119
O=S(C1=CC(CCNC2)=C2C(F)=C1)(N[C@@H](CC3=CC(C(F)(F)F)=CC=C3)C(N4CCCC4)=O)=O.Cl
(S)-PRAMIPEXOLE (HYDROCHLORIDE)
CAS:104632-25-9
Formula: C10H17N3S • 2HCl
11981
NC(S1)=NC2=C1C[C@@H](NCCC)CC2.Cl.Cl
(S)-PRAMIPEXOLE-D5 (HYDROCHLORIDE)
CAS:1217601-58-5
Formula: C10H12D5N3S • 2HCl
31239
NC(S1)=NC2=C1C[C@@H](NCC([2H])([2H])C([2H])([2H])[2H])CC2.Cl.Cl
(S)-SLV 319
CAS:464213-10-3
Formula: C23H20Cl2N4O2S
1.0009e+007
C/N=C(\NS(=O)(=O)c1ccc(Cl)cc1)/N1N=C(c2ccc(Cl)cc2)C(C1)c1ccccc1
(S)-TIPIFARNIB
CAS:192185-71-0
Formula: C27H22Cl2N4O
35515
N[C@@](C1=CN=CN1C)(C2=CC=C(C=C2)Cl)C(C=C3C(C4=CC(Cl)=CC=C4)=C5)=CC=C3N(C)C5=O
(S)-WAY-100135 (HYDROCHLORIDE)
CAS:149007-54-5
Formula: C24H33N3O2 • 2HCl
32851
COC1=C(N2CCN(CC2)C[C@H](C3=CC=CC=C3)C(NC(C)(C)C)=O)C=CC=C1.Cl.Cl
(Z)-4-HYDROXY TAMOXIFEN
CAS:68047-06-3
Formula: C26H29NO2
14854
CC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCN(C)C)C=C2)\C3=CC=C(O)C=C3
(Z)-9-Hexadecenol
CAS:10378-01-5
Formula: C16H32O
30462
OCCCCCCCC/C=C\CCCCCC
(Z)-GUGGULSTERONE
CAS:39025-23-5
Formula: C21H28O2
71800
C/C=C1\C(=O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]\12C
(Z)-PUGNAC
CAS:132489-69-1
Formula: C15H19N3O7
17151
O=C(C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O/C1=N\OC(NC2=CC=CC=C2)=O
(Z-ALA-ALA-ALA-ALA)2RH110
CAS:149695-85-2
Formula: C60H66N10O15
11675
O=C(NC1=CC(OC2=C3C=CC(NC([C@H](C)NC([C@H](C)NC([C@H](C)NC([C@H](C)NC(OCC4=CC=CC=C4)=O)=O)=O)=O)=O)=C2)=C(C35OC(C6=C5C=CC=C6)=O)C=C1)[C@H](C)NC([C@H](C)NC([C@H](C)NC([C@H](C)NC(OCC7=CC=CC=C7)=O)=O)=O)=O