Products 117332-69-1

CAS 117332-69-1 is the registry number for Clocinnamox Mesylate. Offered by: TRC. Available pack sizes: 75mg.

Structural formula: {0} (CAS {1})

(E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide;methanesulfonic acid (CAS 117332-69-1) is a chemical compound with the molecular formula C30H33ClN2O7S and a molecular weight of 601.1 g/mol. IUPAC name: (E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide;methanesulfonic acid. InChIKey: XAXNKAGAUFXFDO-JVJDXIHNSA-N.

Identity
Molecular formulaC30H33ClN2O7S
Molecular weight601.1 g/mol
IUPAC name(E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide;methanesulfonic acid
InChIKeyXAXNKAGAUFXFDO-JVJDXIHNSA-N
SMILESCS(=O)(=O)O.C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=C(C=C7)Cl

Computed by PubChem (NCBI)