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Reference substances

Reference substances

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General information

Inventory

EC number:
212-020-9
EC name:
Quinidine hydrogen sulphate
CAS number:
747-45-5

No inventory information available

Reference substance information

IUPAC name:
6'-methoxycinchonan-9-ol, 6'-methoxy-,(9S)-, sulfate (salt)
Synonyms
Names:
Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (1:1) (salt)

CAS information

CAS number:
747-45-5

Molecular and structural information

Molecular formula:
C20H24N2O2.H2O4S
Molecular weight:
422.495
SMILES notation:
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OS(=O)(=O)O
InChl:
InChI=1/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)
Structural formula:
Chemical structure