 | | CXX | | Name: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | | Formula: | C19 H23 Cl N2 | | SMILES: | Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C | | InChi: | InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 | | Synonyms: | 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine | | Definition date: | 2007-06-07 | | Last modified: | 2020-06-17 | | Identifier: | 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine |
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 | | 6WN | | Name: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[
a]phenanthren-17-one | | Formula: | C25 H26 O2 | | SMILES: | C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC(=Cc5ccccc5)C2=O | | InChi: | InChI=1S/C25H26O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,13-14,21-23,26H,7,9,11-12,15H2,1H3/b18-13+/t21-,22-,23+,25+/m1/s1 | | Synonyms: | 16-benzylidene estrone | | Definition date: | 2016-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2017-02-15 | | Identifier: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one |
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 | | CYR | | Name: | N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE | | Formula: | C9 H19 N4 O4 S | | SMILES: | O=C(O)C(N)CCCNC(SCC(N)C(=O)O)=[NH2+] | | InChi: | InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1 | | Synonyms: | L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE | | Definition date: | 2005-08-04 | | Last modified: | 2020-06-17 | | Identifier: | {[(4S)-4-amino-4-carboxybutyl]amino}{[(2R)-2-amino-2-carboxyethyl]sulfanyl}methaniminium |
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 | | CYZ | | Name: | CYCLOTHIAZIDE | | Formula: | C14 H16 Cl N3 O4 S2 | | SMILES: | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N | | InChi: | InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14-/m0/s1 | | Synonyms: | 3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-6-CHLORO-3,4- DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1 DIOXIDE | | Definition date: | 2002-04-08 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-3-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
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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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 | | 6Y1 | | Name: | ~{N}-(1-adamantyl)-2-selanyl-benzamide | | Formula: | C17 H21 N O Se | | SMILES: | [SeH]c1ccccc1C(=O)NC23CC4CC(CC(C4)C2)C3 | | InChi: | InChI=1S/C17H21NOSe/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13,20H,5-10H2,(H,18,19)/t11-,12+,13-,17- | | Synonyms: | Adamantyl Ebselen (open form) | | Definition date: | 2016-07-21 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-29 | | Identifier: | ~{N}-(1-adamantyl)-2-selanyl-benzamide |
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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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 | | 6ZV | | Name: | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py
rimidin-2-amine | | Formula: | C27 H32 F2 N8 | | SMILES: | C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5 | | InChi: | InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | | Synonyms: | Abemaciclib | | Definition date: | 2016-08-03 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-23 | | Identifier: | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine |
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 | | 6ZZ | | Name: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | | Formula: | C23 H30 N8 O | | SMILES: | c1(nc2c(cn1)cc(C(N(C)C)=O)n2C3CCCC3)Nc4ncc(cc4)N5CCNCC5 | | InChi: | InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28) | | Synonyms: | Ribociclib | | Definition date: | 2016-08-03 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-23 | | Identifier: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
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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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 | | D2S | | Name: | 4,4'-disulfanediyldibenzene-1,3-diol | | Formula: | C12 H10 O4 S2 | | SMILES: | S(Sc1ccc(O)cc1O)c2ccc(O)cc2O | | InChi: | InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H | | Synonyms: | 4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol | | Definition date: | 2009-08-24 | | Last modified: | 2020-06-17 | | Identifier: | 4,4'-disulfanediyldibenzene-1,3-diol |
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 | | 715 | | Name: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A
MINE | | Formula: | C16 H15 F6 N5 O | | SMILES: | Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F | | InChi: | InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 | | Synonyms: | Sitagliptin | | Definition date: | 2004-08-16 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
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 | | D31 | | Name: | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | | Formula: | C24 H31 N5 O2 | | SMILES: | O=C(Nc3cccc2c1nnc(c1C(=O)c23)C4CCCCC4)CN5CCC(CC5)CN | | InChi: | InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28) | | Synonyms: | DIN-101312 | | Definition date: | 2005-09-28 | | Last modified: | 2020-06-17 | | Identifier: | 2-[4-(aminomethyl)piperidin-1-yl]-N-(3-cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)acetamide |
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 | | 71C | | Name: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid | | Formula: | C33 H27 N O8 | | SMILES: | c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45 | | InChi: | InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1 | | Synonyms: | antagonist A-317491 | | Definition date: | 2016-08-10 | | Last modified: | 2020-06-17 | | Release date: | 2016-10-05 | | Identifier: | 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid |
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 | | 71D | | Name: | (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami
de | | Formula: | C22 H25 Cl N6 O2 | | SMILES: | c3nc(c1c(n(CCOC)c(c1c2ccc(Cl)cc2)CC(C#N)C(NC(C)C)=O)n3)N | | InChi: | InChI=1S/C22H25ClN6O2/c1-13(2)28-22(30)15(11-24)10-17-18(14-4-6-16(23)7-5-14)19-20(25)26-12-27-21(19)29(17)8-9-31-3/h4-7,12-13,15H,8-10H2,1-3H3,(H,28,30)(H2,25,26,27)/t15-/m1/s1 | | Synonyms: | Rao-IV-151, bound form | | Definition date: | 2016-08-10 | | Last modified: | 2020-06-17 | | Release date: | 2017-08-16 | | Identifier: | (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide |
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 | | 71E | | Name: | DZ 2384 | | Formula: | C34 H36 F N5 O7 | | SMILES: | CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2 | | InChi: | InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1 | | Synonyms: | optimized synthetic derivative of diazonamide AB-5 | | Definition date: | 2016-08-11 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-30 |
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 | | 71I | | Name: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d]
[1,3]thiazole-6,7-diol | | Formula: | C11 H20 N2 O4 S | | SMILES: | CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 | | InChi: | InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1 | | Synonyms: | Butylaminothiazoline | | Definition date: | 2015-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | (3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
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 | | D3A | | Name: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic
acid | | Formula: | C29 H31 Cl N2 O6 | | SMILES: | O=C(O)CC5CCN(C(=O)CC3OC(c1cc(Cl)ccc1n2cccc23)c4cccc(OC)c4OC)CC5 | | InChi: | InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1 | | Synonyms: | 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acet
ic acid | | Definition date: | 2012-01-11 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid |
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