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BRH

BRH
Name:	(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID
Formula:	C6 H7 Br N2 O4
SMILES:	Brc1c(onc1O)CC(C(=O)O)N
InChi:	InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
Synonyms:	BR-HIBO
Definition date:	2002-07-11
Last modified:	2021-03-01
Identifier:	3-(4-bromo-3-hydroxyisoxazol-5-yl)alanine

BSP

BSP
Name:	3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION
Formula:	C20 H8 Br4 O10 S2
SMILES:	[O-]S(=O)(=O)c1c(O)ccc(c1)C3(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S([O-])(=O)=O
InChi:	InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2
Synonyms:	BROMOSULFALEIN
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)

BTX

BTX
Name:	((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE
Formula:	C20 H30 N7 O8 P S
SMILES:	O=C1NC2C(SCC2N1)CCCCCOP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O
InChi:	InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1
Synonyms:	BIOTINOL-5-AMP
Definition date:	2005-12-05
Last modified:	2021-03-01
Identifier:	5'-O-[(R)-hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}oxy)phosphoryl]adenosine

BUJ

BUJ
Name:	(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate
Formula:	C23 H46 N2 O3
SMILES:	[O-]C(=O)CC(NC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)C
InChi:	InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1
Synonyms:	(3R)-3-(palmitoylamino)-4-(trimethylammonio)butanoate
Definition date:	2007-10-02
Last modified:	2021-03-01
Identifier:	(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate

BVC

BVC
Name:	1-THIEN-3-YLMETHANAMINE
Formula:	C5 H7 N S
SMILES:	s1ccc(c1)CN
InChi:	InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
Synonyms:	3-THIENYLMETHYLAMINE
Definition date:	2005-11-10
Last modified:	2021-03-01
Identifier:	1-thiophen-3-ylmethanamine

BXO

BXO
Name:	(1Z)-butanal oxime
Formula:	C4 H9 N O
SMILES:	N(/O)=C/CCC
InChi:	InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3/b5-4-
Synonyms:	n-Butyraldoxime
Definition date:	2009-03-31
Last modified:	2021-03-01
Identifier:	(1Z)-butanal oxime

BY1

BY1
Name:	3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Formula:	C10 H9 N O2 S
SMILES:	O=S(=O)(C=CC#N)c1ccc(cc1)C
InChi:	InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3
Synonyms:	BAY 11-7082
Definition date:	2014-02-07
Last modified:	2021-03-01
Release date:	2015-05-06
Identifier:	3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile

BZG

BZG
Name:	6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-9H-PURIN-2-AMINE
Formula:	C17 H20 N5 O7 P
SMILES:	O=P(O)(O)OCC4OC(n3cnc2c3nc(nc2OCc1ccccc1)N)CC4O
InChi:	InChI=1S/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1
Synonyms:	O6-BENZYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Definition date:	2007-01-17
Last modified:	2021-03-01
Identifier:	6-(benzyloxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine

DKW

DKW
Name:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide
Formula:	C13 H14 N6 O4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC#C
InChi:	InChI=1S/C13H14N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
Synonyms:	6-CARBOXYMETHYLURACIL
Definition date:	2018-01-23
Last modified:	2021-03-01
Release date:	2019-02-06
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide

DL5

DL5
Name:	Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate
Formula:	C17 H19 N8 O18 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O
InChi:	InChI=1S/C17H19N8O18P3/c18-14-11-15(20-4-19-14)22(5-21-11)16-13-12(8(40-16)3-39-46(37,38)43-45(35,36)6-44(32,33)34)41-17(42-13)9(24(28)29)1-7(23(26)27)2-10(17)25(30)31/h1-2,4-5,8,12-13,16H,3,6H2,(H,26,27)(H,35,36)(H,37,38)(H2,18,19,20)(H2,32,33,34)/t8-,12-,13-,16-/m1/s1
Synonyms:	TNP-AMPPCP
Definition date:	2015-06-03
Last modified:	2021-03-01
Release date:	2016-04-13
Identifier:	(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide

DLM

DLM
Name:	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
Formula:	C15 H11 O7
SMILES:	Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
InChi:	InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1
Synonyms:	Delphinidin
Definition date:	2014-10-15
Last modified:	2021-03-01
Release date:	2015-01-21
Identifier:	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium

DM2

DM2
Name:	DOXORUBICIN
Formula:	C27 H29 N O11
SMILES:	O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(N)C4)C
InChi:	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
Synonyms:	ADRIAMYCIN
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

DM6

DM6
Name:	4'-EPIDOXORUBICIN
Formula:	C27 H30 N O11
SMILES:	O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(C4)[NH3+])C
InChi:	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1
Synonyms:	4'-EPIADRIAMYCIN
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside

DMQ

DMQ
Name:	[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
Formula:	C33 H36 N4 O3
SMILES:	O=C1N(C(C(O)C(O)C(N1Cc2cccc(N)c2)Cc3ccccc3)Cc4ccccc4)Cc5cccc(N)c5
InChi:	InChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1
Synonyms:	DMP450(INHIBITOR OF DUPONT MERCK)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one

DMU

DMU
Name:	DECYL-BETA-D-MALTOPYRANOSIDE
Formula:	C22 H42 O11
SMILES:	O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:	InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
Synonyms:	DECYLMALTOSIDE
Definition date:	2003-12-02
Last modified:	2021-03-01
Identifier:	decyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside

DN2

DN2
Name:	3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID
Formula:	C26 H31 F2 N3 O7 S
SMILES:	O=C(O)C(O)C(NC(=O)C(NC(=O)C2(Nc1ccccc1C2)Cc3c(scc3)C(=O)O)CC(C)C)CC(F)F
InChi:	InChI=1S/C26H31F2N3O7S/c1-13(2)9-18(22(33)29-17(10-19(27)28)20(32)23(34)35)30-25(38)26(11-14-5-3-4-6-16(14)31-26)12-15-7-8-39-21(15)24(36)37/h3-8,13,17-20,31-32H,9-12H2,1-2H3,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t17-,18-,20+,26-/m0/s1
Synonyms:	PEPTIDOMIMETIC INHIBITOR
Definition date:	2004-07-14
Last modified:	2021-03-01
Identifier:	3-{[N-({(2S)-2-[(2-carboxythiophen-3-yl)methyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)-L-leucyl]amino}-3,4,5-trideoxy-5,5-difluoro-L-threo-pentonic acid

DNB

DNB
Name:	(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Formula:	C11 H17 N3 O3
SMILES:	OC2C(c1ccc(N)c(N)c1)NC(CO)C2O
InChi:	InChI=1S/C11H17N3O3/c12-6-2-1-5(3-7(6)13)9-11(17)10(16)8(4-15)14-9/h1-3,8-11,14-17H,4,12-13H2/t8-,9+,10-,11+/m1/s1
Synonyms:	Diaminophenyl iminoribitol
Definition date:	2009-02-12
Last modified:	2021-03-01
Identifier:	(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

DNQ

DNQ
Name:	6,7-DINITROQUINOXALINE-2,3-DIONE
Formula:	C8 H2 N4 O6
SMILES:	[O-][N+](=O)C=2C(=CC1=NC(=O)C(=O)N=C1C=2)[N+]([O-])=O
InChi:	InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H
Synonyms:	DNQX
Definition date:	2000-09-27
Last modified:	2021-03-01
Identifier:	6,7-dinitroquinoxaline-2,3-dione

DOI

DOI
Name:	9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE
Formula:	C10 H14 N4 O10 P2
SMILES:	O=P(O)(O)Oc3ncnc1c3ncn1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H14N4O10P2/c15-5-1-7(23-6(5)2-22-25(16,17)18)14-4-13-8-9(14)11-3-12-10(8)24-26(19,20)21/h3-7,15H,1-2H2,(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
Synonyms:	2'-DEOXY-IMP
Definition date:	2006-03-16
Last modified:	2021-03-01
Identifier:	9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(phosphonooxy)-9H-purine

DOZ

DOZ
Name:	(dimethylamino)(hydroxy)zinc'
Formula:	C2 H7 N O Zn
SMILES:	O[Zn]N(C)C
InChi:	InChI=1S/C2H6N.H2O.Zn/c1-3-2
Synonyms:	zinc hydroxide dimethylazanide
Definition date:	2007-10-03
Last modified:	2021-03-01
Identifier:	zinc hydroxide dimethylazanide

DPV

DPV
Name:	dodecyl 2-(trimethylammonio)ethyl phosphate
Formula:	C17 H38 N O4 P
SMILES:	CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
InChi:	InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3
Synonyms:	dodecylphosphocholine
Definition date:	2009-12-09
Last modified:	2021-03-01
Identifier:	dodecyl 2-(trimethylazaniumyl)ethyl phosphate

DQM

DQM
Name:	(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula:	C15 H26 N4 O7 S2
SMILES:	C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O
InChi:	InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,13,17-18,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11-,13+/m1/s1
Synonyms:	Hydrolyzed Doripenem
Definition date:	2015-11-27
Last modified:	2021-03-01
Release date:	2016-05-11
Identifier:	(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

DRF

DRF
Name:	(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID
Formula:	C25 H25 N O5
SMILES:	O=C(O)C(OCC)Cc4ccc(OCCN1c3c(Oc2c1cccc2)cccc3)cc4
InChi:	InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
Synonyms:	RAGAGLITAZAR
Definition date:	2003-02-25
Last modified:	2021-03-01
Identifier:	(2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoic acid

DSF

DSF
Name:	(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
Formula:	C3 H2 F6 O
SMILES:	difluoromethyl (1S)-1,2,2,2-tetrafluoroethyl ether
InChi:	InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1
Synonyms:	DESFLURANE
Definition date:	2010-10-25
Last modified:	2021-03-01
Identifier:	(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane

DUO

DUO
Name:	4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
Formula:	C26 H27 N3 O8
SMILES:	O=C(N3c2cc(O)c1c(C(=O)C(C(=O)OC)(N1)C)c2C(C)C3)c5cc4cc(OC)c(OC)c(OC)c4n5
InChi:	InChI=1S/C26H27N3O8/c1-11-10-29(14-9-15(30)20-18(17(11)14)23(31)26(2,28-20)25(33)37-6)24(32)13-7-12-8-16(34-3)21(35-4)22(36-5)19(12)27-13/h7-9,11,27-28,30H,10H2,1-6H3/t11-,26-/m1/s1
Synonyms:	DUOCARMYCIN A
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	methyl (2R,8S)-4-hydroxy-2,8-dimethyl-1-oxo-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,6,7,8-hexahydropyrrolo[3,2-e]indole-2-carboxylate

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