主记录
Beclabuvir hydrochloride
- CAS
- 958002-36-3
- PubChem CID
- 72722244
- SMILES
- CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8.Cl
- 分子式
- C36H46ClN5O5S
- 分子量
- 696.314
- 精确分子量
- 695.2908
- InChI
- InChI=1S/C36H45N5O5S.ClH/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22;/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42);1H/t24-,25+,30-,36-;/m0./s1
- InChIKey
- IHXVACFNNPBRLK-OZSFMWOHSA-N
- LogP
- 5.1149
- TPSA
- 104.19
名称与别名
- Beclabuvir hydrochloride
- beclabuvir HCl
- BMS-791325 hydrochloride
- UNII-3KU5345YJF
- Beclabuvir hydrochloride [USAN]
- RefChem:116860
- 3KU5345YJF
- BMS-791325-08
- BMS-791325 HCl
- 958002-36-3
- CHEMBL6067983
- SCHEMBL16697163
- BECLABUVIR HYDROCHLORIDE [MI]
- BECLABUVIR HYDROCHLORIDE [JAN]
- GLXC-15114
- MFCD28978574
- BECLABUVIR HYDROCHLORIDE [WHO-DD]
- C36-H45-N5-O5-S.Cl-H
- [1,2-a]indole-9-carboxamide hydrochloride
- A900499
- Q27257441
- Cycloprop(d)indolo(2,1-a)(2)benzazepine-9-carboxamide, 12-cyclohexyl-N-((dimethylamino)sulfonyl)-4b,5,5a,6-tetrahydro-3-methoxy-5a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)-, hydrochloride (1:1), (4bS,5aR)-
- B0084-462269
- (4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)-4b,5,5a,6-tetrahydrocyclopropa(d)indolo(2,1-a)(2)benzazepine-9-carboxamide monohydrochloride
- (8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;hydrochloride
- (1ar,12bs)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-(((1r,5s)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide hydrochloride
- (4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)carbonyl)-4beta,5,5alpha,6-tetrahydrocyclopropa(d)indolo(2,1-a)(2)benzazepine-9-carboxamide monohydrochloride
- (4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-[(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl]-4b,5,5a,6-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-9-carboxamide monohydrochloride
- (4bS,5aR)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-[(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl]-4beta,5,5alpha,6-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-9-carboxamide monohydrochloride
- (4bS,5aR)-12-cyclohexyl-N-(N,N-dimethylsulfamoyl)-3-methoxy-5a-((1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-4b,5,5a,6-tetrahydrobenzo[3,4]cyclopropa[5,6]azepino