GHS
GHS Classification Search
Acurox
CAS Number: 1338077-55-6
IUPAC name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;pyridine-3-carboxylic acid;hydrochloride
Molecular formula: C24H27ClN2O6
Molecular weight: 474.9
InChI: InChI=1S/C18H21NO4.C6H5NO2.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;8-6(9)5-2-1-3-7-4-5;/h3-4,13,16,21H,5-9H2,1-2H3;1-4H,(H,8,9);1H/t13-,16+,17+,18-;;/m1../s1
InChIKey: UBDJOJNGBHWAML-PCHTVJFHSA-N
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CN=C1)C(=O)O.Cl
EINECS: -
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