 | XIF | Name: | PIPERIDINE-3,4-DIOL | Formula: | C5 H11 N O2 | SMILES: | OC1CCNCC1O | InChi: | InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1 | Synonyms: | XYLOSE-DERIVED ISOFAGOMINE | Definition date: | 2000-08-17 | Last modified: | 2021-03-01 | Identifier: | (3R,4R)-piperidine-3,4-diol |
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 | ATZ | Name: | 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE | Formula: | C8 H14 Cl N5 | SMILES: | Clc1nc(nc(n1)NC(C)C)NCC | InChi: | InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) | Synonyms: | ATRAZINE | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine |
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 | XIY | Name: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE | Formula: | C8 H8 N2 O | SMILES: | OCc2nc1ccccc1n2 | InChi: | InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10) | Synonyms: | 1H-BENZIMIDAZOL-2-YLMETHANOL | Definition date: | 2010-07-01 | Last modified: | 2021-03-01 | Identifier: | 1H-benzimidazol-2-ylmethanol |
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 | XIZ | Name: | (E)-PYRIDIN-4-YL-ACRYLIC ACID | Formula: | C8 H7 N O2 | SMILES: | O=C(O)C=Cc1ccncc1 | InChi: | InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+ | Synonyms: | (2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID | Definition date: | 2010-07-01 | Last modified: | 2021-03-01 | Identifier: | (2E)-3-pyridin-4-ylprop-2-enoic acid |
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 | AUF | Name: | triethylphosphanuidylgold(1+) | Formula: | C6 H15 Au P | SMILES: | [Au+].CC[P--](CC)CC | InChi: | InChI=1S/C6H15P.Au/c1-4-7(5-2)6-3 | Synonyms: | gold(I)-triethylphosphane | Definition date: | 2015-09-18 | Last modified: | 2021-03-01 | Release date: | 2016-09-14 | Identifier: | triethylphosphanuidylgold(1+) |
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 | AUI | Name: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one | Formula: | C25 H33 N O2 | SMILES: | O=C2c1c(cccc1)NC(=C2CC=C(/C)CCC=C(/C)CC(O)C=C(/C)C)C | InChi: | InChI=1S/C25H33NO2/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26-24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27H,8-9,14,16H2,1-5H3,(H,26,28)/b18-13+,19-10+/t21-/m0/s1 | Synonyms: | Dehydroxy-aurachin RE | Definition date: | 2013-07-29 | Last modified: | 2021-03-01 | Release date: | 2014-01-01 | Identifier: | 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one |
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 | AV1 | Name: | [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Formula: | C15 H22 Br N5 O13 P2 | SMILES: | O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3c(Br)nc2c(ncnc23)N)C(O)C4O | InChi: | InChI=1S/C15H22BrN5O13P2/c16-15-20-8-12(17)18-4-19-13(8)21(15)14-11(25)10(24)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(23)5(22)1-30-6/h4-7,9-11,14,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,17,18,19)/p-2/t5-,6+,7+,9-,10+,11+,14+/m0/s1 | Synonyms: | 8-BROMOADENOSINE-5'-O-DIPHOSPHORIBOSE | Definition date: | 2011-09-07 | Last modified: | 2021-03-01 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | AWH | Name: | 3-[(Z)-[(5Z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid | Formula: | C20 H16 N2 O6 S | SMILES: | O=C(O)COc1ccccc1C=C3/S/C(=Nc2cccc(C(=O)O)c2)N(C3=O)C | InChi: | InChI=1S/C20H16N2O6S/c1-22-18(25)16(10-12-5-2-3-8-15(12)28-11-17(23)24)29-20(22)21-14-7-4-6-13(9-14)19(26)27/h2-10H,11H2,1H3,(H,23,24)(H,26,27)/b16-10-,21-20- | Synonyms: | 3-((Z)-((Z)-5-(2(carboxymethoxy)benzylidene)-3-methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid | Definition date: | 2012-12-05 | Last modified: | 2021-03-01 | Release date: | 2013-08-07 | Identifier: | 3-[(Z)-{(5Z)-5-[2-(carboxymethoxy)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino]benzoic acid |
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 | AX2 | Name: | 1,3,5-triazine-2,4,6-triamine | Formula: | C3 H6 N6 | SMILES: | n1c(nc(nc1N)N)N | InChi: | InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) | Synonyms: | Melamine | Definition date: | 2007-12-20 | Last modified: | 2021-03-01 | Identifier: | 1,3,5-triazine-2,4,6-triamine |
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 | AXM | Name: | N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide | Formula: | C12 H19 N O2 | SMILES: | O=C(NO)CC13CC2CC(CC(C1)C2)C3 | InChi: | InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)/t8-,9+,10-,12- | Synonyms: | Adamantane acetic acid hydroxamate | Definition date: | 2012-10-05 | Last modified: | 2021-03-01 | Release date: | 2013-01-18 | Identifier: | N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide |
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 | XMP | Name: | XANTHOSINE-5'-MONOPHOSPHATE | Formula: | C10 H14 N4 O9 P | SMILES: | O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3 | InChi: | InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1 | Synonyms: | 5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE | Definition date: | 1999-07-12 | Last modified: | 2021-03-01 | Identifier: | 5'-xanthylic acid |
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 | AY6 | Name: | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide | Formula: | C22 H21 Cl3 N4 O | SMILES: | n2(c(c(C)c(C(=O)NN1CCCCC1)n2)c3ccc(cc3)Cl)c4c(Cl)cc(cc4)Cl | InChi: | InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | Synonyms: | Rimonabant | Definition date: | 2018-12-05 | Last modified: | 2021-03-01 | Release date: | 2018-12-26 | Identifier: | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide |
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 | XN3 | Name: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | Formula: | C38 H48 N4 O6 | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5 | InChi: | InChI=1S/C38H48N4O6/c1-38(2,3)40-37(46)31-23-41(21-26-13-14-33-34(18-26)48-24-47-33)15-16-42(31)22-29(43)19-28(17-25-9-5-4-6-10-25)36(45)39-35-30-12-8-7-11-27(30)20-32(35)44/h4-14,18,28-29,31-32,35,43-44H,15-17,19-24H2,1-3H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,35+/m1/s1 | Synonyms: | ANALOGUE OF INDINAVIR DRUG | Definition date: | 2001-11-02 | Last modified: | 2021-03-01 | Identifier: | (2S)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name) |
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 | AYB | Name: | 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine | Formula: | C20 H32 N7 O10 P | SMILES: | O=C(OCCC)NCCCCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C20H32N7O10P/c1-2-7-34-20(31)23-6-4-3-5-11(21)19(30)37-38(32,33)35-8-12-14(28)15(29)18(36-12)27-10-26-13-16(22)24-9-25-17(13)27/h9-12,14-15,18,28-29H,2-8,21H2,1H3,(H,23,31)(H,32,33)(H2,22,24,25)/t11-,12+,14+,15+,18+/m0/s1 | Synonyms: | NE-ALLYLOXYCARBONYL-L-LYSINE-5'-ADENOSINE MONOPHOSPHATE | Definition date: | 2008-02-20 | Last modified: | 2021-03-01 | Identifier: | 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine |
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 | AZ9 | Name: | 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione | Formula: | C6 H5 N5 O2 | SMILES: | c21nncnc1C(N(C)C(N2)=O)=O | InChi: | InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13) | Synonyms: | 1-demethyltoxoflavin | Definition date: | 2016-04-18 | Last modified: | 2021-03-01 | Release date: | 2016-05-04 | Identifier: | 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
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 | AZG | Name: | 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL | Formula: | C4 H4 N6 O | SMILES: | n1c(O)c2c(nc1N)nnn2 | InChi: | InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11) | Synonyms: | 8-AZAGUANINE | Definition date: | 2003-11-10 | Last modified: | 2021-03-01 | Identifier: | 5-amino-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
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 | XOC | Name: | N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide | Formula: | C19 H21 N3 O S | SMILES: | O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24 | InChi: | InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23) | Synonyms: | FD44 | Definition date: | 2015-07-27 | Last modified: | 2021-03-01 | Release date: | 2017-01-25 | Identifier: | N-phenothiazin-10-yl-2-piperidin-1-yl-ethanamide |
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 | AZO | Name: | METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE | Formula: | C22 H17 N3 O5 | SMILES: | O=C(OC)C(=COC)c3ccccc3Oc2ncnc(Oc1c(C#N)cccc1)c2 | InChi: | InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ | Synonyms: | AZOXYSTROBIN | Definition date: | 2004-03-28 | Last modified: | 2021-03-01 | Identifier: | methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate |
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 | XOG | Name: | (2E,6E)-2,6-dimethylocta-2,6-dienedial | Formula: | C10 H14 O2 | SMILES: | O=C[C@H]=C(C)CC[C@H]=C(C)C=O | InChi: | InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+ | Synonyms: | 8-oxogeranial | Definition date: | 2015-07-27 | Last modified: | 2021-03-01 | Release date: | 2015-11-04 | Identifier: | (2E,6E)-2,6-dimethylocta-2,6-dienedial |
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 | XPE | Name: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | Formula: | C20 H42 O11 | SMILES: | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO | InChi: | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 | Synonyms: | DECAETHYLENE GLYCOL | Definition date: | 2004-06-23 | Last modified: | 2021-03-01 | Identifier: | 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol |
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 | XPG | Name: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid | Formula: | C20 H34 O5 | SMILES: | O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1 | Synonyms: | Prostaglandin E1 | Definition date: | 2013-09-17 | Last modified: | 2021-03-01 | Release date: | 2014-09-10 | Identifier: | (11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid |
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 | B11 | Name: | N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE | Formula: | C24 H26 F N3 O4 S | SMILES: | O=S(=O)(Nc2cccc(Oc1ccc(F)cc1)c2)N4CCC(NCc3ccccc3O)CC4 | InChi: | InChI=1S/C24H26FN3O4S/c25-19-8-10-22(11-9-19)32-23-6-3-5-21(16-23)27-33(30,31)28-14-12-20(13-15-28)26-17-18-4-1-2-7-24(18)29/h1-11,16,20,26-27,29H,12-15,17H2 | Synonyms: | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | Definition date: | 2005-06-27 | Last modified: | 2021-03-01 | Identifier: | N-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide |
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 | B1K | Name: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol | Formula: | C15 H19 N3 O6 | SMILES: | COc1ccc(cc1)c2[nH]nc(n2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O | InChi: | InChI=1S/C15H19N3O6/c1-23-8-4-2-7(3-5-8)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)24-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | JLH270 | Definition date: | 2017-09-05 | Last modified: | 2021-03-01 | Release date: | 2018-02-28 | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol |
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 | DF0 | Name: | (2-fluorobiphenyl-4-yl)acetic acid | Formula: | C14 H11 F O2 | SMILES: | Fc2cc(ccc2c1ccccc1)CC(=O)O | InChi: | InChI=1S/C14H11FO2/c15-13-8-10(9-14(16)17)6-7-12(13)11-4-2-1-3-5-11/h1-8H,9H2,(H,16,17) | Synonyms: | Des-methylflurbiprofen | Definition date: | 2012-06-29 | Last modified: | 2021-03-01 | Release date: | 2012-08-24 | Identifier: | (2-fluorobiphenyl-4-yl)acetic acid |
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 | XRA | Name: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine | Formula: | C19 H21 N5 O4 | SMILES: | O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4 | InChi: | InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | Synonyms: | Prazosin | Definition date: | 2010-09-24 | Last modified: | 2021-03-01 | Identifier: | [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone |
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