 | | DA6 | | Name: | 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE | | Formula: | C18 H21 Br N4 O | | SMILES: | O=C(NCCN(C)C)c3cccc2c(c1ccc(Br)cc1[nH+]c23)[NH3+] | | InChi: | InChI=1S/C18H19BrN4O/c1-23(2)9-8-21-18(24)14-5-3-4-13-16(20)12-7-6-11(19)10-15(12)22-17(13)14/h3-7,10H,8-9H2,1-2H3,(H2,20,22)(H,21,24)/p+2 | | Synonyms: | 6BR20686 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 9-ammonio-3-bromo-5-{[2-(dimethylamino)ethyl]carbamoyl}acridinium |
|
 | | DAI | | Name: | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE | | Formula: | C24 H25 N O3 | | SMILES: | O=C1N(C(=O)C5C1C4c2c(cccc2)C5(c3ccccc34)CO)CCCCC | | InChi: | InChI=1S/C24H25NO3/c1-2-3-8-13-25-22(27)20-19-15-9-4-6-11-17(15)24(14-26,21(20)23(25)28)18-12-7-5-10-16(18)19/h4-7,9-12,19-21,26H,2-3,8,13-14H2,1H3/t19-,20-,21+,24+/m0/s1 | | Synonyms: | (11S,12S)-9-HYDROXYMETHYL-11,12-(2-PENTYL-1,3-DIOXO-2-AZAPROPANO)-9,10-DIHYDRO-9,10-ETHANOANTHRACENE | | Definition date: | 2005-02-11 | | Last modified: | 2020-06-17 | | Identifier: | (15S,19S)-1-(hydroxymethyl)-17-pentyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name) |
|
 | | T5E | | Name: | 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1
,3,6,8(2H,7H)-tetrone | | Formula: | C50 H80 N12 O4 | | SMILES: | O=C6c2c5c3c(c(NCCCCN1CCN(C)CC1)c2)C(=O)N(C(=O)c3cc(NCCCCN4CCN(C)CC4)c5C(=O)N6CCCCN7CCN(CC7)C)CCCCN8CCN(C)CC8 | | InChi: | InChI=1S/C50H80N12O4/c1-53-21-29-57(30-22-53)15-7-5-13-51-41-37-39-44-43-40(48(64)61(49(65)45(41)43)19-11-9-17-59-33-25-55(3)26-34-59)38-42(52-14-6-8-16-58-31-23-54(2)24-32-58)46(44)50(66)62(47(39)63)20-12-10-18-60-35-27-56(4)28-36-60/h37-38,51-52H,5-36H2,1-4H3 | | Synonyms: | BMSG-SH2 | | Definition date: | 2011-08-03 | | Last modified: | 2020-06-17 | | Identifier: | 2,7-bis[4-(4-methylpiperazin-1-yl)butyl]-4,9-bis{[4-(4-methylpiperazin-1-yl)butyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
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 | | DAT | | Name: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE | | Formula: | C10 H15 N5 O9 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | | InChi: | InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 | | Synonyms: | DADP | | Definition date: | 2000-11-07 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxyadenosine 5'-(trihydrogen diphosphate) |
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 | | DB1 | | Name: | 2,3-DIHYDROXYBENZAMIDE | | Formula: | C7 H7 N O3 | | SMILES: | O=C(c1cccc(O)c1O)N | | InChi: | InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11) | | Synonyms: | TRENCAM-3,2-HOPO | | Definition date: | 2004-08-19 | | Last modified: | 2020-06-17 | | Identifier: | 2,3-dihydroxybenzamide |
|
 | | DB8 | | Name: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile | | Formula: | C26 H29 Cl2 N5 O3 | | SMILES: | Clc1c(OC)cc(c(Cl)c1)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34 | | InChi: | InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | | Synonyms: | Bosutinib | | Definition date: | 2011-07-18 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile |
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 | | T5X | | Name: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia
zol-3-ium-2-yl}-5-O-phosphono-D-xylitol | | Formula: | C17 H30 N4 O15 P3 S | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO | | InChi: | InChI=1S/C17H29N4O15P3S/c1-9-13(3-4-34-39(32,33)36-38(29,30)31)40-16(21(9)6-11-5-19-10(2)20-15(11)18)17(25,8-22)14(24)12(23)7-35-37(26,27)28/h5,12,14,22-25H,3-4,6-8H2,1-2H3,(H6-,18,19,20,26,27,28,29,30,31,32,33)/p+1/t12-,14+,17+/m1/s1 | | Synonyms: | D-XYLULOSE-5-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT | | Definition date: | 2007-10-25 | | Last modified: | 2020-06-17 | | Identifier: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-5-O-phosphono-D-xylitol |
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 | | DBG | | Name: | 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Formula: | C23 H27 N8 O13 P3 | | SMILES: | O=C(c1ccccc1)c2ccc(c(N)c2)NP(=O)(O)NP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O | | InChi: | InChI=1S/C23H27N8O13P3/c24-13-8-12(17(32)11-4-2-1-3-5-11)6-7-14(13)29-45(36,37)30-46(38,39)44-47(40,41)42-9-15-18(33)19(34)22(43-15)31-10-26-16-20(31)27-23(25)28-21(16)35/h1-8,10,15,18-19,22,33-34H,9,24H2,(H,40,41)(H3,25,27,28,35)(H4,29,30,36,37,38,39)/t15-,18-,19-,22-/m1/s1 | | Synonyms: | DABP-GPPNHP | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(R)-{[(S)-{[(S)-{[2-amino-4-(phenylcarbonyl)phenyl]amino}(hydroxy)phosphoryl]amino}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | | T64 | | Name: | (6-4)photoproduct | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | OP(OCC5C3CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O | | InChi: | InChI=1S/C20H28N4O15P2/c1-8-5-23-13-3-9(25)11(37-13)6-36-41(33,34)39-10-4-14(38-12(10)7-35-40(30,31)32)24-16(15(8)21-18(23)27)20(2,29)17(26)22-19(24)28/h5,9-14,16,25,29H,3-4,6-7H2,1-2H3,(H,33,34)(H,22,26,28)(H2,30,31,32)/t9-,10-,11+,12+,13+,14+,16-,20+/m0/s1 | | Synonyms: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-
tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate | | Definition date: | 2011-07-26 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-02 | | Identifier: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate (non-preferred name) |
|
 | | DBI | | Name: | PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER | | Formula: | C14 H19 N2 O7 P | | SMILES: | O=P(O)(O)OC3C(OC(n2cnc1cc(c(cc12)C)C)C3O)CO | | InChi: | InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-12(18)13(11(5-17)22-14)23-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1 | | Synonyms: | DIMETHYLBENZIMIDAZOLE-NUCLEOTIDE | | Definition date: | 2001-04-11 | | Last modified: | 2020-06-17 | | Identifier: | 5,6-dimethyl-1-(3-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
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 | | DCE | | Name: | 1,2-DICHLOROETHANE | | Formula: | C2 H4 Cl2 | | SMILES: | ClCCCl | | InChi: | InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 | | Synonyms: | ETHYLENE DICHLORIDE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,2-dichloroethane |
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 | | T75 | | Name: | TAK-715 | | Formula: | C24 H21 N3 O S | | SMILES: | O=C(c1ccccc1)Nc4nccc(c3sc(nc3c2cc(ccc2)C)CC)c4 | | InChi: | InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28) | | Synonyms: | N-{4-[2-ETHYL-4-(3-METHYLPHENYL)-1,3-THIAZOL-5-YL]PYRIDIN-2-YL}BENZAMIDE | | Definition date: | 2011-06-28 | | Last modified: | 2020-06-17 | | Identifier: | N-{4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}benzamide |
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 | | DCI | | Name: | 2-METHYL-BUTYLAMINE | | Formula: | C5 H13 N | | SMILES: | NCC(C)CC | | InChi: | InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1 | | Synonyms: | LEUCINOL | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-methylbutan-1-amine |
|
 | | DCK | | Name: | (2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium | | Formula: | C7 H16 N O3 | | SMILES: | O=C(O)CC(O)C[N+](C)(C)C | | InChi: | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1 | | Synonyms: | D-carnitine | | Definition date: | 2010-12-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium |
|
 | | DCQ | | Name: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | | Formula: | C19 H30 O4 | | SMILES: | O=C1C(=C(C(=O)C(OC)=C1OC)C)CCCCCCCCCC | | InChi: | InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3 | | Synonyms: | decylubiquinone | | Definition date: | 2009-04-17 | | Last modified: | 2020-06-17 | | Identifier: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione |
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 | | DCS | | Name: | D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | | Formula: | C11 H16 N3 O7 P | | SMILES: | O=C2NOCC2NCc1c(cnc(c1O)C)COP(=O)(O)O | | InChi: | InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1 | | Synonyms: | D-PYRIDOXYL-N,O-CYCLOSERYLAMIDE-5-MONOPHOSPHATE | | Definition date: | 1999-10-28 | | Last modified: | 2020-06-17 | | Identifier: | [5-hydroxy-6-methyl-4-({[(4R)-3-oxoisoxazolidin-4-yl]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate |
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 | | DCU | | Name: | 3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM | | Formula: | C32 H44 N4 | | SMILES: | c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCCCCCCCCC[N+](C)(C)C)N | | InChi: | InChI=1S/C32H43N4/c1-36(2,3)22-14-9-7-5-4-6-8-13-21-35-31-24-27(34)18-20-29(31)28-19-17-26(33)23-30(28)32(35)25-15-11-10-12-16-25/h10-12,15-20,23-24,34H,4-9,13-14,21-22,33H2,1-3H3/q+1/p+1 | | Synonyms: | DECIDIUM | | Definition date: | 2002-12-11 | | Last modified: | 2020-06-17 | | Identifier: | 3,8-diamino-6-phenyl-5-[10-(trimethylammonio)decyl]phenanthridinium |
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 | | DDC | | Name: | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | | Formula: | C15 H12 O3 | | SMILES: | O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3 | | InChi: | InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1 | | Synonyms: | 5,4'-DIDEOXYFLAVANONE | | Definition date: | 2000-08-30 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one |
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 | | DDJ | | Name: | 3,3'-dimethoxybiphenyl-4,4'-diamine | | Formula: | C14 H16 N2 O2 | | SMILES: | O(c1cc(ccc1N)c2ccc(N)c(OC)c2)C | | InChi: | InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3 | | Synonyms: | o-Dianisidine | | Definition date: | 2011-12-12 | | Last modified: | 2020-06-17 | | Release date: | 2012-11-30 | | Identifier: | 3,3'-dimethoxybiphenyl-4,4'-diamine |
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 | | DDR | | Name: | (2S)-3-hydroxypropane-1,2-diyl didecanoate | | Formula: | C23 H44 O5 | | SMILES: | O=C(OC(COC(=O)CCCCCCCCC)CO)CCCCCCCCC | | InChi: | InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1 | | Synonyms: | 1,2-DIDECANOYL-SN-GLYCEROL | | Definition date: | 2007-10-04 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-3-hydroxypropane-1,2-diyl didecanoate |
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 | | DDY | | Name: | 2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE | | Formula: | C9 H15 N3 O9 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2 | | InChi: | InChI=1S/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1 | | Synonyms: | DDCDP | | Definition date: | 2004-04-19 | | Last modified: | 2020-06-17 | | Identifier: | [(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate |
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 | | T8X | | Name: | 2-O-sulfo-alpha-D-glucopyranosyl
2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside | | Formula: | C56 H104 O16 S | | SMILES: | O=S(=O)(O)OC2C(O)C(O)C(OC2OC1OC(CO)C(O)C(OC(=O)/C(=C/C(C)CC(C)CC(C)CCCCCCCCCCCCCCCC)C)C1OC(=O)CCCCCCCCCCCCCCC)CO | | InChi: | InChI=1S/C56H104O16S/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-41(3)36-42(4)37-43(5)38-44(6)54(63)70-51-49(61)46(40-58)68-56(71-55-52(72-73(64,65)66)50(62)48(60)45(39-57)67-55)53(51)69-47(59)35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h38,41-43,45-46,48-53,55-58,60-62H,7-37,39-40H2,1-6H3,(H,64,65,66)/b44-38+/t41-,42-,43-,45+,46+,48+,49+,50-,51-,52+,53+,55+,56+/m0/s1 | | Synonyms: | 2-Palmitoyl-3-[2S,4S,6S,8S-tetramethyl-trans-2-tetracosenoyl]-2'-sulfate-alpha-alpha'-D-trehalose | | Definition date: | 2011-08-18 | | Last modified: | 2020-06-17 | | Identifier: | 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside |
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 | | DE9 | | Name: | 3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid | | Formula: | C30 H30 N4 O4 | | SMILES: | O=C(O)CCC5=C(c2nc5cc1c(c(c(n1)cc4nc(cc3cc(c(c2)n3)C)C(=C4)C)C)CCC(=O)O)C | | InChi: | InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,32-33H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14- | | Synonyms: | deuteroporphyrin IX | | Definition date: | 2015-01-21 | | Last modified: | 2020-06-17 | | Release date: | 2015-05-20 | | Identifier: | 3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid |
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 | | AMZ | | Name: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE | | Formula: | C9 H15 N4 O8 P | | SMILES: | O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N | | InChi: | InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | AICAR | | Definition date: | 2002-08-15 | | Last modified: | 2020-06-17 | | Identifier: | 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
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 | | AN4 | | Name: | 3,4,5,6-tetrahydro-2,3'-bipyridine | | Formula: | C10 H12 N2 | | SMILES: | n2cc(C1=NCCCC1)ccc2 | | InChi: | InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2 | | Synonyms: | anabaseine | | Definition date: | 2009-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 3,4,5,6-tetrahydro-2,3'-bipyridine |
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