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331

331
Name:	(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-METHYLBUTYRIC ACID
Formula:	C27 H36 F2 N2 O4
SMILES:	Fc1ccc(c(F)c1)NC(=O)N(CCCCCCC)CCc2ccc(OC(C(=O)O)(CC)C)cc2
InChi:	InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1
Synonyms:	GW2331
Definition date:	2004-11-24
Last modified:	2020-06-17
Identifier:	(2S)-2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenoxy]-2-methylbutanoic acid

O7B

O7B
Name:	(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one
Formula:	C19 H24 N2 O
SMILES:	O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5
InChi:	InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
Synonyms:	Palonosetron
Definition date:	2020-02-17
Last modified:	2020-06-17
Release date:	2020-03-04
Identifier:	(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one

334

334
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE
Formula:	C15 H13 Br N4 O
SMILES:	Brc3cc(cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C
InChi:	InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20)
Synonyms:	CRA_9334
Definition date:	2003-03-14
Last modified:	2020-06-17
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-bromo-4-methylphenolate

O7Z

O7Z
Name:	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid
Formula:	C17 H18 Cl2 O4
SMILES:	CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
InChi:	InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)
Synonyms:	indanyloxyacetic acid-94
Definition date:	2020-02-19
Last modified:	2020-06-17
Release date:	2020-03-11
Identifier:	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid

O8M

O8M
Name:	2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide
Formula:	C14 H21 N7 O4
SMILES:	O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O
InChi:	InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1
Synonyms:	5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Definition date:	2008-07-31
Last modified:	2020-06-17
Identifier:	2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide

OA7

OA7
Name:	6-hydroxypyridine-3-carboxylic acid
Formula:	C6 H5 N O3
SMILES:	c1cc(O)ncc1C(O)=O
InChi:	InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
Synonyms:	6-hydroxynicotinic acid
Definition date:	2019-06-19
Last modified:	2020-06-17
Release date:	2019-11-06
Identifier:	6-hydroxypyridine-3-carboxylic acid

OAQ

OAQ
Name:	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Formula:	C14 H21 N3 O3
SMILES:	[O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO
InChi:	InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m0/s1
Synonyms:	Oxamniquine
Definition date:	2013-09-24
Last modified:	2020-06-17
Release date:	2013-12-18
Identifier:	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol

OCB

OCB
Name:	OCTANOYLCARNITINE
Formula:	C15 H30 N O4
SMILES:	O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C
InChi:	InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1
Synonyms:	3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM
Definition date:	2004-10-12
Last modified:	2020-06-17
Identifier:	(2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium

OCV

OCV
Name:	N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE
Formula:	C14 H24 N2 O7 S
SMILES:	O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1
Synonyms:	L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER
Definition date:	2001-04-12
Last modified:	2020-06-17
Identifier:	N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

ODD

ODD
Name:	(10E,12Z)-OCTADECA-10,12-DIENOIC ACID
Formula:	C18 H32 O2
SMILES:	O=C(O)CCCCCCCCC=CC=C/CCCCC
InChi:	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
Synonyms:	10-TRANS-12-CIS-OCTADECADIENOIC ACID
Definition date:	2005-10-24
Last modified:	2020-06-17
Identifier:	(10E,12Z)-octadeca-10,12-dienoic acid

ODI

ODI
Name:	OCTANE-1,8-DIOL
Formula:	C8 H18 O2
SMILES:	OCCCCCCCCO
InChi:	InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
Synonyms:	1,8-OCTANEDIOL
Definition date:	2006-04-23
Last modified:	2020-06-17
Identifier:	octane-1,8-diol

ODK

ODK
Name:	3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
Formula:	C9 H7 N3 O2
SMILES:	O=C(O)c1cc(nn1)c2ncccc2
InChi:	InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)
Synonyms:	5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid
Definition date:	2010-08-12
Last modified:	2020-06-17
Identifier:	3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid

ODT

ODT
Name:	(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID
Formula:	C18 H30 O2
SMILES:	O=C(O)CCCCCCCCCC=CC=CC=C/CC
InChi:	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+
Synonyms:	11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID
Definition date:	2005-10-24
Last modified:	2020-06-17
Identifier:	(11E,13E,15Z)-octadeca-11,13,15-trienoic acid

L7A

L7A
Name:	N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide
Formula:	C17 H13 N3 O2
SMILES:	O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3
InChi:	InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21)
Synonyms:	3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one
Definition date:	2011-05-26
Last modified:	2020-06-17
Identifier:	N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide

L86

L86
Name:	(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI COSINE-3,24-DIONE
Formula:	C27 H33 Cl N6 O2
SMILES:	O=C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2=O)C3)Cc4ccccc4
InChi:	InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-10-5-4-9-21(22)11-14-29-12-6-13-30-17-23(33-26)15-20-7-2-1-3-8-20/h1-5,7-10,18,23,29-30H,6,11-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1
Synonyms:	COMPOUND 31
Definition date:	2003-01-21
Last modified:	2020-06-17
Identifier:	(11S)-11-benzyl-6-chloro-1,2,10,11,12,13,14,15,16,17,18,19-dodecahydro-5,9-methano-2,5,8,10,13,17-benzohexaazacyclohenicosine-3,24(4H)-dione

L8P

L8P
Name:	({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
Formula:	C8 H14 N3 O6 P
SMILES:	O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO
InChi:	InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
Synonyms:	Cidofovir
Definition date:	2011-02-01
Last modified:	2020-06-17
Identifier:	({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid

L98

L98
Name:	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID
Formula:	C10 H13 N3 O2 S
SMILES:	O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CS
InChi:	InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1
Synonyms:	2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID
Definition date:	2005-04-28
Last modified:	2020-06-17
Identifier:	(2R)-2-(3-carbamimidamidophenyl)-3-sulfanylpropanoic acid

L9Q

L9Q
Name:	(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
Formula:	C41 H80 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1
Synonyms:	1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Definition date:	2010-03-19
Last modified:	2020-06-17
Identifier:	(21S,24S)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (9Z)-octadec-9-enoate

LA8

LA8
Name:	L-ADENOSINE-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1
Synonyms:	L-ADP
Definition date:	2011-03-08
Last modified:	2020-06-17
Identifier:	9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine

LAE

LAE
Name:	3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE
Formula:	C12 H19 N O4
SMILES:	O=C1OCCC1NC(=O)CC(=O)CCCCC
InChi:	InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
Synonyms:	N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE
Definition date:	2002-03-07
Last modified:	2020-06-17
Identifier:	3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide

LAP

LAP
Name:	[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM
Formula:	C20 H43 N O7 P
SMILES:	O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
InChi:	InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1
Synonyms:	L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL
Definition date:	2002-09-02
Last modified:	2020-06-17
Identifier:	4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide

LAX

LAX
Name:	EICOSA-8,11,14-TRIENOIC ACID
Formula:	C20 H34 O2
SMILES:	O=C(O)CCCCCCC=C/CC=C/CC=C/CCCCC
InChi:	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
Synonyms:	DIHOMO-GAMMA-LINOLENIC ACID
Definition date:	2000-08-10
Last modified:	2020-06-17
Identifier:	(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid

LBN

LBN
Name:	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
Formula:	C42 H82 N O8 P
SMILES:	C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O
InChi:	InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
Synonyms:	(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Definition date:	2013-02-14
Last modified:	2020-06-17
Release date:	2020-01-08
Identifier:	(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate

LCF

LCF
Name:	[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID
Formula:	C23 H22 Cl N O2
SMILES:	Clc4ccc(c1c(n3c(c1c2ccccc2)CC(C)(C3)C)CC(=O)O)cc4
InChi:	InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
Synonyms:	LICOFELONE
Definition date:	2005-06-14
Last modified:	2020-06-17
Identifier:	[6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid

LCR

LCR
Name:	(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
Formula:	C21 H25 Cl N2 O3
SMILES:	O=C(O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
InChi:	InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
Synonyms:	R-levocetirizine
Definition date:	2015-09-16
Last modified:	2020-06-17
Release date:	2015-12-23
Identifier:	(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid

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