 | | CYT | | Name: | 6-AMINOPYRIMIDIN-2(1H)-ONE | | Formula: | C4 H5 N3 O | | SMILES: | O=C1N=CC=C(N)N1 | | InChi: | InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) | | Synonyms: | CYTOSINE | | Definition date: | 2007-01-29 | | Last modified: | 2020-06-17 | | Identifier: | 6-aminopyrimidin-2(1H)-one |
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 | | CZB | | Name: | (2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | | Formula: | C26 H22 Br N3 O4 | | SMILES: | Brc1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O | | InChi: | InChI=1S/C26H22BrN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26-/m0/s1 | | Synonyms: | BR-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | (2S,8S)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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 | | CZH | | Name: | C2-HYDROPEROXY-COELENTERAZINE | | Formula: | C26 H21 N3 O5 | | SMILES: | O=C1N3C=C(N=C(C3=NC1(OO)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5 | | InChi: | InChI=1S/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(34-33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1 | | Synonyms: | 8-BENZYL-2-HYDROPEROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE | | Definition date: | 2000-03-07 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one |
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 | | CZJ | | Name: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben
zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide | | Formula: | C30 H38 N2 O10 | | SMILES: | c6c(OC1C(C(C(C(C)(C)O1)OC)OC(=O)N)O)c(c2c(C(=C(C(O2)=O)NC(C35CC4CC(C3)CC(C4)C5)=O)O)c6)C | | InChi: | InChI=1S/C30H38N2O10/c1-13-18(39-26-21(34)23(41-28(31)37)24(38-4)29(2,3)42-26)6-5-17-20(33)19(25(35)40-22(13)17)32-27(36)30-10-14-7-15(11-30)9-16(8-14)12-30/h5-6,14-16,21,23-24,26,33-34H,7-12H2,1-4H3,(H2,31,37)(H,32,36)/t14-,15+,16-,21-,23+,24-,26-,30-/m1/s1 | | Synonyms: | novobiocin derivative | | Definition date: | 2017-10-09 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-06 | | Identifier: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide |
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 | | CZP | | Name: | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)
-ONE | | Formula: | C25 H27 N3 O5 | | SMILES: | O=C1N3C=C(NC(C3=NC1(OO)Cc2ccc(O)cc2)CC4CCCC4)c5ccc(O)cc5 | | InChi: | InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25-/m0/s1 | | Synonyms: | CP-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | (2S,8S)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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 | | D01 | | Name: | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | | Formula: | C20 H17 Cl N4 O4 S2 | | SMILES: | Clc1cc2cc(nc2cc1)S(=O)(=O)N5CCN(C(=O)c4sc3ccc[n+]([O-])c3c4)CC5 | | InChi: | InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2 | | Synonyms: | 2-[[4-[(5-CHLOROINDOL-2-YL)SULFONYL]PIPERAZIN-1-YL] CARBONYL]THIENO[3,2-B]PYRIDINE N-OXIDE | | Definition date: | 2005-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-({4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide |
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 | | D16 | | Name: | TOMUDEX | | Formula: | C21 H22 N4 O6 S | | SMILES: | O=C(c3sc(N(C)Cc2ccc1NC(=NC(=O)c1c2)C)cc3)NC(C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1 | | Synonyms: | ZD1694 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acid |
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 | | D18 | | Name: | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | | Formula: | C24 H32 N4 O | | SMILES: | o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C | | InChi: | InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24+ | | Synonyms: | FURAMIDINE DERIVATIVE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine] |
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 | | D1H | | Name: | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | | Formula: | C16 H18 N8 O4 | | SMILES: | O=C2c1n(cnc1N(C(=O)N2CCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C | | InChi: | InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3 | | Synonyms: | 1-(2-(THEOBROMINE-1-YL)ETHYL)-BROMINE | | Definition date: | 2006-06-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) |
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 | | D1N | | Name: | NAPHTHALENE-1,2-DIOL | | Formula: | C10 H8 O2 | | SMILES: | Oc1c2c(ccc1O)cccc2 | | InChi: | InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H | | Synonyms: | 1,2-DIHYDROXYNAPHTHALENE | | Definition date: | 2007-03-15 | | Last modified: | 2020-06-17 | | Identifier: | naphthalene-1,2-diol |
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 | | 1BD | | Name: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid | | Formula: | C11 H10 F3 N O3 | | SMILES: | FC(F)(F)c1ccccc1C=NOCCC(=O)O | | InChi: | InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+ | | Synonyms: | (E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid | | Definition date: | 2009-03-27 | | Last modified: | 2020-06-17 | | Identifier: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid |
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 | | D22 | | Name: | N-octyloctan-1-amine | | Formula: | C16 H35 N | | SMILES: | N(CCCCCCCC)CCCCCCCC | | InChi: | InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3 | | Synonyms: | Dioctylamine | | Definition date: | 2009-05-14 | | Last modified: | 2020-06-17 | | Identifier: | N-octyloctan-1-amine |
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 | | D2A | | Name: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE | | Formula: | C21 H18 N6 | | SMILES: | [N@H]=C(N)c1ccc(cc1)c4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4 | | InChi: | InChI=1S/C21H18N6/c22-19(23)14-5-1-12(2-6-14)13-3-7-15(8-4-13)21-26-17-10-9-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) | | Synonyms: | DB921 | | Definition date: | 2005-09-16 | | Last modified: | 2020-06-17 | | Identifier: | 2-(4'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-6-carboximidamide |
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 | | 1C1 | | Name: | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi
nium | | Formula: | C19 H20 Cl F N5 O2 | | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3CNC(=[NH2+])N | | InChi: | InChI=1S/C19H19ClFN5O2/c20-14-6-5-12(8-15(14)21)25-17(27)18(28)26-16-11(9-24-19(22)23)7-10-3-1-2-4-13(10)16/h1-6,8,11,16H,7,9H2,(H,25,27)(H,26,28)(H4,22,23,24)/p+1/t11-,16-/m1/s1 | | Synonyms: | [amino({[(1R,2R)-1-{[(4-chloro-3- fluorophenyl)carbamoyl]formamido}-2,3-dihydro-1H-
inden-2-yl]methyl}amino)methylidene]azanium | | Definition date: | 2012-11-30 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-29 | | Identifier: | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methaniminium |
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 | | DW0 | | Name: | 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | | Formula: | C17 H20 N8 O4 | | SMILES: | O=C2c1n(cnc1N(C(=O)N2CCCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C | | InChi: | InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3 | | Synonyms: | BISDIONIN C | | Definition date: | 2011-03-10 | | Last modified: | 2020-06-17 | | Identifier: | 1,1'-propane-1,3-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) |
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 | | 1CA | | Name: | DESOXYCORTICOSTERONE | | Formula: | C21 H30 O3 | | SMILES: | O=C4C=C2C(C1CCC3(C(C(=O)CO)CCC3C1CC2)C)(C)CC4 | | InChi: | InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | | Synonyms: | 4-PREGNEN-21-OL-3,20-DIONE | | Definition date: | 2005-01-11 | | Last modified: | 2020-06-17 | | Identifier: | (14beta)-21-hydroxypregn-4-ene-3,20-dione |
|
 | | 1CD | | Name: | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25
),18,20-HEPTAENE-23,26-DIONE | | Formula: | C22 H21 N5 O3 | | SMILES: | O=C5Nc3cccc4OC6CN(CCN2Nc1c(cccc1C2=O)C5=Nc34)C(C)C6 | | InChi: | InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1 | | Synonyms: | 5H,10H-17,19-(IMINOMETHANO)-4,6:9,12-DIMETHANODIBENZ[B,F][1,4,8,9,12]OXATETRAAZACYCLOPENTADECINE-20,23-DIONE,7,8,11,12-
TETRAHYDRO-10-METHYL-,(10R,12S) | | Definition date: | 2006-06-21 | | Last modified: | 2020-06-17 | | Identifier: | (13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.1~6,9~.1~12,15~.0~2,7~.0~21,25~]heptacosa-1(24),2,4,6,17(25),18,20-heptaene-23,27-dione (non-preferred name) |
|
 | | 19F | | Name: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one | | Formula: | C27 H32 N4 O4 | | SMILES: | O=C1c3c(nc(n3N=C(N1)Cc2ccc(OC)c(OC)c2)C(CCCc4ccccc4)C(O)C)C | | InChi: | InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1 | | Synonyms: | BAY60-7550 | | Definition date: | 2012-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one |
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 | | DX5 | | Name: | D-XYLITOL-5-PHOSPHATE | | Formula: | C5 H13 O8 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CO | | InChi: | InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1 | | Synonyms: | D-HYLITOL-5-PHOSPHATE | | Definition date: | 2006-01-24 | | Last modified: | 2020-06-17 | | Identifier: | 5-O-phosphono-D-xylitol |
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 | | DXC | | Name: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | | Formula: | C24 H40 O4 | | SMILES: | O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C | | InChi: | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 | | Synonyms: | DEOXYCHOLIC ACID | | Definition date: | 2000-06-26 | | Last modified: | 2020-06-17 | | Identifier: | (3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid |
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 | | DXL | | Name: | D-xylaric acid | | Formula: | C5 H8 O7 | | SMILES: | O=C(O)C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+ | | Synonyms: | m-Xylarate | | Definition date: | 2010-09-27 | | Last modified: | 2020-06-17 | | Identifier: | D-xylaric acid |
|
 | | 1AE | | Name: | (1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE | | Formula: | C6 H11 O6 P | | SMILES: | O=P(OC=C(/O)C(=O)CCC)(O)O | | InChi: | InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4- | | Synonyms: | 2,3-DIKETOHEXANE 1-PHOSPHATE | | Definition date: | 2007-01-12 | | Last modified: | 2020-06-17 | | Identifier: | (1Z)-2-hydroxy-3-oxohex-1-en-1-yl dihydrogen phosphate |
|
 | | 1AW | | Name: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea | | Formula: | C20 H23 N5 O | | SMILES: | O=C(Nc1ccccc1)Nc3cc(nn3c2cc(ccc2)N)C(C)(C)C | | InChi: | InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26) | | Synonyms: | 1-[2-(3-Amino-phenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-phenyl-urea | | Definition date: | 2008-11-05 | | Last modified: | 2020-06-17 | | Identifier: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea |
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 | | DZN | | Name: | DAIDZIN | | Formula: | C21 H20 O9 | | SMILES: | O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2 | | InChi: | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 | | Synonyms: | 4',7-DIHYDROXYISOFLAVONE | | Definition date: | 2003-04-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside |
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 | | DZZ | | Name: | O,O-DIMETHYL HYDROGEN THIOPHOSPHATE | | Formula: | C2 H7 O3 P S | | SMILES: | S=P(O)(OC)OC | | InChi: | InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7) | | Synonyms: | DIMETHYL THIOPHOSPHATE | | Definition date: | 2005-09-12 | | Last modified: | 2020-06-17 | | Identifier: | O,O-dimethyl hydrogen thiophosphate |
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