Quinidine hydrogen sulfate (ester)

HCID 183259

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Basic information

CAS: 111320-96-8
Standard SMILES: C=CC1CN2CCC1CC2[C@@H](OS(=O)(=O)O)c1ccnc2ccc(OC)cc12
InChIKey: SYDYQSROSAGYFZ-LHFMAAMQSA-N
Molecular formula: C20H24N2O5S
Average molar mass: 404.5 g/mol
Monoisotopic mass: 404.14059304

Names & identifiers

Preferred name: Quinidine hydrogen sulfate (ester)
IUPAC: [(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] hydrogen sulfate

Names & synonyms

111320-96-8Quinidine hydrogen sulfate (ester)DTXSID40912113Cinchonan-9-ol, 6'-methoxy-, hydrogen sulfate (ester), (9S)-6'-Methoxycinchonan-9-yl hydrogen sulfate(9S)-6'-Methoxycinchonan-9-yl hydrogen sulfate

Database identifiers

CAS: 111320-96-8
PubChem CID: 183259
DTXSID: DTXSID40912113

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 97.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 666

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