Beclabuvir (hydrochloride)

cas: 958002-36-3 — see every product listed under this CAS number, including other names

Beclabuvir (hydrochloride) (CAS 958002-36-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas958002-36-3
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Structural formula: {0} (CAS {1})

(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 (CAS 958002-36-3) is a chemical compound with the molecular formula C36H46ClN5O5S and a molecular weight of 696.3 g/mol. IUPAC name: (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. InChIKey: IHXVACFNNPBRLK-OZSFMWOHSA-N.

Identity
Molecular formulaC36H46ClN5O5S
Molecular weight696.3 g/mol
IUPAC name(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
InChIKeyIHXVACFNNPBRLK-OZSFMWOHSA-N
SMILESCN1C[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

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