 | | RS4 | | Name: | 7-ethyl-10-hydroxycamptothecin | | Formula: | C22 H20 N2 O5 | | SMILES: | c32c(CC)c1c(ccc(c1)O)nc2C=4N(C3)C(C5=C(C=4)C(C(OC5)=O)(CC)O)=O | | InChi: | InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1 | | Synonyms: | (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | | Definition date: | 2020-02-24 | | Last modified: | 2021-03-13 | | Release date: | 2020-05-13 | | Identifier: | (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
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 | | 3EK | | Name: | trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid | | Formula: | C24 H26 F N5 O3 | | SMILES: | Fc1ccc(cc1)CNC(=O)c4nc(cc(c2ncn(n2)CC3CCC(C(=O)O)CC3)c4)C | | InChi: | InChI=1S/C24H26FN5O3/c1-15-10-19(11-21(28-15)23(31)26-12-16-4-8-20(25)9-5-16)22-27-14-30(29-22)13-17-2-6-18(7-3-17)24(32)33/h4-5,8-11,14,17-18H,2-3,6-7,12-13H2,1H3,(H,26,31)(H,32,33)/t17-,18- | | Synonyms: | (1r,4r)-4-((3-(2((4-fluorobenzyl)carbamoyl)-6-methylpyridin-4-yl)-1h-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid | | Definition date: | 2009-10-29 | | Last modified: | 2021-03-13 | | Identifier: | trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid |
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 | | RUT | | Name: | RUTIN | | Formula: | C27 H30 O16 | | SMILES: | O=C3C(OC1OC(C(O)C(O)C1O)COC2OC(C)C(O)C(O)C2O)=C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5 | | InChi: | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 | | Synonyms: | 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2004-01-06 | | Last modified: | 2021-03-13 | | Identifier: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
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 | | RV5 | | Name: | N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327 | | Formula: | C14 H17 N5 O2 S | | SMILES: | O=C(NCC(=O)N1CCCCC1)Nc2ccc3nnsc3c2 | | InChi: | InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21) | | Synonyms: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea | | Definition date: | 2020-10-22 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-03 | | Identifier: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea |
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 | | RV8 | | Name: | Triglycidyl isocyanurate | | Formula: | C12 H15 N3 O6 | | SMILES: | O=C1N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C(=O)N1C[CH]4CO4 | | InChi: | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m0/s1 | | Synonyms: | 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione | | Definition date: | 2020-10-22 | | Last modified: | 2021-03-13 | | Release date: | 2020-12-02 | | Identifier: | 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione |
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 | | RX8 | | Name: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol | | Formula: | C17 H22 N4 O2 | | SMILES: | n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N | | InChi: | InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19) | | Synonyms: | R848 | | Definition date: | 2013-01-22 | | Last modified: | 2021-03-13 | | Release date: | 2013-04-03 | | Identifier: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol |
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 | | BL6 | | Name: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | | Formula: | C18 H16 N2 O2 | | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc(cc4)C | | InChi: | InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 | | Synonyms: | S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | | Definition date: | 2008-01-19 | | Last modified: | 2021-03-13 | | Identifier: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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 | | BL7 | | Name: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | | Formula: | C17 H14 N2 O2 | | SMILES: | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4 | | InChi: | InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 | | Synonyms: | (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one | | Definition date: | 2008-01-19 | | Last modified: | 2021-03-13 | | Identifier: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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 | | BMF | | Name: | Bromosporine | | Formula: | C17 H20 N6 O4 S | | SMILES: | c1(ccc(C)c(c1)NS(=O)(C)=O)c2nn3c(c(NC(OCC)=O)c2)nnc3C | | InChi: | InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24) | | Synonyms: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate | | Definition date: | 2015-06-19 | | Last modified: | 2021-03-13 | | Release date: | 2015-07-07 | | Identifier: | ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate |
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 | | BP7 | | Name: | 1,1'-BIPHENYL-3,4-DIOL | | Formula: | C12 H10 O2 | | SMILES: | Oc2ccc(c1ccccc1)cc2O | | InChi: | InChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H | | Synonyms: | 3,4-DIHYDROXYBIPHENYL | | Definition date: | 2005-12-14 | | Last modified: | 2021-03-13 | | Identifier: | biphenyl-3,4-diol |
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 | | S4N | | Name: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine | | Formula: | C24 H32 F2 N6 O2 | | SMILES: | C[CH]1CN(CCN1)c2cnc(Nc3cc(F)c(OCC4CC4)c(F)c3)nc2NC5CCOCC5 | | InChi: | InChI=1S/C24H32F2N6O2/c1-15-13-32(7-6-27-15)21-12-28-24(31-23(21)29-17-4-8-33-9-5-17)30-18-10-19(25)22(20(26)11-18)34-14-16-2-3-16/h10-12,15-17,27H,2-9,13-14H2,1H3,(H2,28,29,30,31)/t15-/m1/s1 | | Synonyms: | ~{N}2-[4-(cyclopropylmethoxy)-3,5-bis(fluoranyl)phenyl]-5-[(3~{R})-3-methylpiperazin-1-yl]-~{N}4-(oxan-4-yl)pyrimidine-2,4-diamine | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-03 | | Identifier: | ~{N}2-[4-(cyclopropylmethoxy)-3,5-bis(fluoranyl)phenyl]-5-[(3~{R})-3-methylpiperazin-1-yl]-~{N}4-(oxan-4-yl)pyrimidine-2,4-diamine |
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 | | S4Q | | Name: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine | | Formula: | C18 H19 F2 N5 O | | SMILES: | CNc1nc(OC2CCCC2)nc3n(Cc4c(F)cccc4F)cnc13 | | InChi: | InChI=1S/C18H19F2N5O/c1-21-16-15-17(24-18(23-16)26-11-5-2-3-6-11)25(10-22-15)9-12-13(19)7-4-8-14(12)20/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,21,23,24) | | Synonyms: | 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentyloxy-~{N}-methyl-purin-6-amine | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-03 | | Identifier: | 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentyloxy-~{N}-methyl-purin-6-amine |
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 | | S4T | | Name: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide | | Formula: | C29 H27 F3 N8 O3 | | SMILES: | FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)ccc1CN5CCn6ccnc6C5 | | InChi: | InChI=1S/C29H27F3N8O3/c30-29(31,32)23-13-21(4-3-19(23)15-39-11-12-40-10-9-33-25(40)16-39)37-28(42)36-20-5-7-22(8-6-20)43-26-14-24(34-17-35-26)38-27(41)18-1-2-18/h3-10,13-14,17-18H,1-2,11-12,15-16H2,(H2,36,37,42)(H,34,35,38,41) | | Synonyms: | ~{N}-[6-[4-[[4-(6,8-dihydro-5~{H}-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-03 | | Identifier: | ~{N}-[6-[4-[[4-(6,8-dihydro-5~{H}-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide |
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 | | S4W | | Name: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine | | Formula: | C23 H18 Cl N5 O | | SMILES: | CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4)c5ccccc5Cl | | InChi: | InChI=1S/C23H18ClN5O/c1-28(14-16-6-11-21-25-12-13-29(21)15-16)23-27-26-22(30-23)18-9-7-17(8-10-18)19-4-2-3-5-20(19)24/h2-13,15H,14H2,1H3 | | Synonyms: | 5-[4-(2-chlorophenyl)phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-03 | | Identifier: | 5-[4-(2-chlorophenyl)phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine |
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 | | S4Z | | Name: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide | | Formula: | C20 H18 Cl F3 N6 O2 S | | SMILES: | CNC(=O)c1sc(nc1C(F)(F)F)N2CC3CC2(CNC(=O)c4c[nH]c5ncc(Cl)cc45)C3 | | InChi: | InChI=1S/C20H18ClF3N6O2S/c1-25-17(32)13-14(20(22,23)24)29-18(33-13)30-7-9-3-19(30,4-9)8-28-16(31)12-6-27-15-11(12)2-10(21)5-26-15/h2,5-6,9H,3-4,7-8H2,1H3,(H,25,32)(H,26,27)(H,28,31)/t9-,19+ | | Synonyms: | 2-[1-[[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonylamino]methyl]-2-azabicyclo[2.1.1]hexan-2-yl]-~{N}-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide | | Definition date: | 2020-11-06 | | Last modified: | 2021-03-13 | | Release date: | 2021-03-03 | | Identifier: | 2-[1-[[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonylamino]methyl]-2-azabicyclo[2.1.1]hexan-2-yl]-~{N}-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide |
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 | | S56 | | Name: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide | | Formula: | C28 H30 N6 O3 | | SMILES: | O=C(C(C#N)Cc3c(c2ccc(Oc1ccccc1)cc2)c4c(n3CCOC)ncnc4N)NC(C)C | | InChi: | InChI=1S/C28H30N6O3/c1-18(2)33-28(35)20(16-29)15-23-24(25-26(30)31-17-32-27(25)34(23)13-14-36-3)19-9-11-22(12-10-19)37-21-7-5-4-6-8-21/h4-12,17-18,20H,13-15H2,1-3H3,(H,33,35)(H2,30,31,32)/t20-/m0/s1 | | Synonyms: | Rao-IV-156, bound form | | Definition date: | 2016-09-28 | | Last modified: | 2021-03-13 | | Release date: | 2017-09-27 | | Identifier: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide |
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 | | BR1 | | Name: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol | | Formula: | C22 H25 Br N2 O2 | | SMILES: | BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3ccccc3 | | InChi: | InChI=1S/C22H25BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16,20,26H,1-2,4,7-8,11,14H2/t20-/m0/s1 | | Synonyms: | 1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form | | Definition date: | 2013-02-14 | | Last modified: | 2021-03-13 | | Release date: | 2013-05-01 | | Identifier: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol |
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 | | BRA | | Name: | 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine | | Formula: | C35 H43 N7 O2 | | SMILES: | O=C(Nc5cc4nc2cc(NC(=O)CCN1CCCC1)ccc2c(Nc3ccc(N(C)C)cc3)c4cc5)CCN6CCCC6 | | InChi: | InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39) | | Synonyms: | N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) | | Definition date: | 2008-03-18 | | Last modified: | 2021-03-13 | | Identifier: | N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) |
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 | | TUA | | Name: | prednisolone | | Formula: | C21 H28 O5 | | SMILES: | C2=CC(=O)C=C3CCC1C4C(CC(C1C23C)O)(C(CC4)(O)C(CO)=O)C | | InChi: | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | | Synonyms: | (11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione | | Definition date: | 2020-03-31 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-04 | | Identifier: | (11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione |
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 | | BSO | | Name: | BIOTIN-D-SULFOXIDE | | Formula: | C10 H16 N2 O4 S | | SMILES: | O=S2CC1NC(=O)NC1C2CCCCC(=O)O | | InChi: | InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17-/m0/s1 | | Synonyms: | 5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID | | Definition date: | 2005-09-19 | | Last modified: | 2021-03-13 | | Identifier: | 5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
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 | | TUV | | Name: | vamorolone | | Formula: | C22 H28 O4 | | SMILES: | C12(C)C=CC(=O)C=C1CCC4C2=CCC3(C)C(C(CO)=O)(C(CC34)C)O | | InChi: | InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18-,20+,21+,22+/m1/s1 | | Synonyms: | (8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione | | Definition date: | 2020-04-01 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-04 | | Identifier: | (8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione |
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 | | TX5 | | Name: | (1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL | | Formula: | C26 H40 O3 | | SMILES: | C[CH](CC#CC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH](O)C3 | | InChi: | InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24?,26-/m1/s1 | | Synonyms: | 19-NOR-14-EPI-23-YNE-1,25 DIHYDROXYVITAMIN D3 | | Definition date: | 2004-07-12 | | Last modified: | 2021-03-13 | | Identifier: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol |
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 | | BVX | | Name: | 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | | Formula: | C33 H36 N4 O6 | | SMILES: | CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,13-15,35H,2,7,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13?,27-14-,28-15- | | Synonyms: | Biliverdine IX alpha, bound form | | Definition date: | 2020-07-02 | | Last modified: | 2021-03-13 | | Release date: | 2020-10-28 | | Identifier: | 3-[2-[(~{Z})-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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 | | TYU | | Name: | TETRAHYDROURIDINE | | Formula: | C9 H16 N2 O6 | | SMILES: | O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1 | | Synonyms: | 1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE | | Definition date: | 2004-11-11 | | Last modified: | 2021-03-13 | | Identifier: | (4R)-4-hydroxy-1-beta-D-ribofuranosyltetrahydropyrimidin-2(1H)-one |
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 | | TZA | | Name: | TRANS-AMICLENOMYCIN | | Formula: | C10 H16 N2 O2 | | SMILES: | O=C(O)C(N)CCC1C=CC(N)C=C1 | | InChi: | InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8-,9-/m0/s1 | | Synonyms: | 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID | | Definition date: | 2002-09-11 | | Last modified: | 2021-03-13 | | Identifier: | (2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid |
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