 | | 4BG | | Name: | N-[4-(benzyloxy)phenyl]glycinamide | | Formula: | C15 H16 N2 O2 | | SMILES: | O=C(Nc2ccc(OCc1ccccc1)cc2)CN | | InChi: | InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18) | | Synonyms: | 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide | | Definition date: | 2008-03-14 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-(benzyloxy)phenyl]glycinamide |
|
 | | 4BT | | Name: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | | Formula: | C12 H18 N4 S2 | | SMILES: | S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N | | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16) | | Synonyms: | S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | | Definition date: | 1999-09-23 | | Last modified: | 2020-06-17 | | Identifier: | benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
|
 | | MCX | | Name: | (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c
arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C30 H51 N5 O5 | | SMILES: | O=C(N3C(C(=O)NC(CC1CCC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)NC4(C)CCCCC4)C(C)(C)C | | InChi: | InChI=1S/C30H51N5O5/c1-28(2,3)23(33-27(40)34-30(6)13-8-7-9-14-30)26(39)35-16-18-20(29(18,4)5)21(35)25(38)32-19(22(36)24(31)37)15-17-11-10-12-17/h17-23,36H,7-16H2,1-6H3,(H2,31,37)(H,32,38)(H2,33,34,40)/t18-,19-,20-,21-,22+,23+/m0/s1 | | Synonyms: | Boceprevir derivative, bound form | | Definition date: | 2010-02-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide |
|
 | | MCZ | | Name: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol | | Formula: | C26 H42 O4 | | SMILES: | OC3C(=C)C(=C/C=C1CCCC2(C)C(C(OCCC(O)(C)C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1 | | Synonyms: | Maxacalcitol | | Definition date: | 2011-06-28 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol |
|
 | | MD7 | | Name: | (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide | | Formula: | C19 H16 N2 O2 | | SMILES: | O=C(C(C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)cc3 | | InChi: | InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17- | | Synonyms: | N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide | | Definition date: | 2009-02-02 | | Last modified: | 2020-06-17 | | Identifier: | (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide |
|
 | | MDW | | Name: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | | Formula: | C18 H20 N2 O7 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)N3C(c2c(cc(O)c(OC)c2)CC3)C(=O)NO | | InChi: | InChI=1S/C18H20N2O7S/c1-26-12-3-5-13(6-4-12)28(24,25)20-8-7-11-9-15(21)16(27-2)10-14(11)17(20)18(22)19-23/h3-6,9-10,17,21,23H,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1 | | Synonyms: | 6-HYDROXY-7-METHOXY-2-(4-METHOXY-BENZENESULFONYL)-1,2,3,4,-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID HYDROXYAMIDE | | Definition date: | 2006-02-09 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
|
 | | ME8 | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]
(2S)-2-azanyl-4-methylsulfanyl-butanoate | | Formula: | C15 H23 N6 O8 P S | | SMILES: | O=P(OC(=O)C(N)CCSC)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N6O8PS/c1-31-3-2-7(16)15(24)29-30(25,26)27-4-8-10(22)11(23)14(28-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | L-methionine-AMP | | Definition date: | 2009-10-30 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-4-(methylsulfanyl)butanoyl]oxy}(hydroxy)phosphoryl]adenosine |
|
 | | 4D7 | | Name: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine | | Formula: | C16 H15 N3 O4 | | SMILES: | O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C | | InChi: | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid | | Definition date: | 2009-10-22 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine |
|
 | | 4D9 | | Name: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine | | Formula: | C19 H15 N3 O3 S | | SMILES: | O=C(O)C(NC(=O)c2sc1ccccc1c2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1 | | Synonyms: | (R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid | | Definition date: | 2009-10-22 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine |
|
 | | 4DH | | Name: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine | | Formula: | C21 H19 N5 O3 | | SMILES: | O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid | | Definition date: | 2009-10-23 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine |
|
 | | MEL | | Name: | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | | Formula: | C22 H31 N5 O4 | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)C(NCC(=O)O)C2CCCCC2)CC3 | | InChi: | InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 | | Synonyms: | MELAGATRAN (ASTRA-ZENECA) | | Definition date: | 2001-10-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine |
|
 | | MER | | Name: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d
ihydro-1H-pyrrole-2-carboxylic acid | | Formula: | C17 H27 N3 O5 S | | SMILES: | O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(N2)C(C=O)C(O)C)C | | InChi: | InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-/m1/s1 | | Synonyms: | Meropenem, bound form | | Definition date: | 2001-02-17 | | Last modified: | 2020-06-17 | | Identifier: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
|
 | | MF2 | | Name: | CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE | | Formula: | C15 H30 N2 O2 | | SMILES: | O=CNCCCCCCCCN1CC(OC(C)C1)C | | InChi: | InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+ | | Synonyms: | MF268 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide |
|
 | | 4E8 | | Name: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine | | Formula: | C18 H20 F N5 | | SMILES: | Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 | | Synonyms: | N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine | | Definition date: | 2014-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
|
 | | MG9 | | Name: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol | | Formula: | C21 H20 F6 N4 O3 S | | SMILES: | O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 | | InChi: | InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1 | | Synonyms: | AMG-3969 | | Definition date: | 2013-10-02 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-07 | | Identifier: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
|
 | | MGE | | Name: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE | | Formula: | C38 H72 O10 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC | | InChi: | InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1 | | Synonyms: | MONOGALACTOSYL-DIACYLGLYCEROL | | Definition date: | 2005-10-03 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate |
|
 | | MGH | | Name: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | | Formula: | C20 H24 N4 O6 | | SMILES: | O=C(O)CN(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2ncnc2 | | InChi: | InChI=1S/C20H24N4O6/c1-30-20(29)16(9-15-10-21-13-22-15)23-17(25)11-24(12-19(27)28)18(26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t16-/m1/s1 | | Synonyms: | (S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester | | Definition date: | 2011-03-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate |
|
 | | MGI | | Name: | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | | Formula: | C16 H16 O6 | | SMILES: | O=C(OC)c2c(cc(Oc1cc(cc(O)c1O)C)cc2O)C | | InChi: | InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3 | | Synonyms: | methyl-gerfelin | | Definition date: | 2007-09-30 | | Last modified: | 2020-06-17 | | Identifier: | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate |
|
 | | MGM | | Name: | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE | | Formula: | C19 H37 N O7 P2 | | SMILES: | O=P(OP(=O)(OCCN(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O)(O)O | | InChi: | InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+ | | Synonyms: | 3-AZAGERANYLGERANYL DIPHOSPHATE | | Definition date: | 2002-11-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethyl trihydrogen diphosphate |
|
 | | MGW | | Name: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate | | Formula: | C19 H24 N4 O5 | | SMILES: | O=C(O)CN(CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2 | | InChi: | InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1 | | Synonyms: | ( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester | | Definition date: | 2011-04-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate |
|
 | | 4HF | | Name: | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC
ACID | | Formula: | C19 H23 N5 O6 S | | SMILES: | O=C(O)C(NC(=O)c1sc(cc1)CCC3CNC=2N=C(N)NC(=O)C=2C3)CCC(=O)O | | InChi: | InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1 | | Synonyms: | 6R-2',5'-THIENYL-5,10-DIDEAZATETRAHYDROFOLIC ACID | | Definition date: | 2006-02-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)carbonyl]-L-glutamic acid |
|
 | | ERB | | Name: | Erythromycin B | | Formula: | C37 H67 N O12 | | SMILES: | O=C3OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C | | InChi: | InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1 | | Synonyms: | 12-deoxyerythromycin | | Definition date: | 2013-01-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-01 | | Identifier: | (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name) |
|
 | | ERN | | Name: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-AMINO-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PY
RAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY
}-3,5,7,9,11,13-HEXAMETHYLOXACYCLOTETRADECAN-2-ONE | | Formula: | C37 H70 N2 O12 | | SMILES: | O=C3OC(CC)C(O)(C)C(O)C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C | | InChi: | InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | | Synonyms: | ERYTHROMYCYLAMINE | | Definition date: | 2006-12-18 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name) |
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 | | ESL | | Name: | ESTRIOL | | Formula: | C18 H24 O3 | | SMILES: | Oc1cc4c(cc1)C3CCC2(C(CC(O)C2O)C3CC4)C | | InChi: | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 | | Synonyms: | 1,3,5(10)-ESTRATRIENE-3,16,17-TRIOL | | Definition date: | 2004-08-30 | | Last modified: | 2020-06-17 | | Identifier: | (9beta,13alpha,16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol |
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 | | ESM | | Name: | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER | | Formula: | C19 H26 O3 | | SMILES: | Oc1cc4c(cc1OC)C3CCC2(C(CCC2O)C3CC4)C | | InChi: | InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL | | Definition date: | 2002-04-25 | | Last modified: | 2020-06-17 | | Identifier: | (14beta,17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol |
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