Quinidine sulfate dihydrate structure

Quinidine sulfate dihydrate

bis((S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate

Also Known As: Quinidine sulfate dihydrate|Quinidine sulfate|Quinidex|Quinora|Cin-Quin|Quinicardine|Quinidine sulphate|Chinidin Sodium|Quinidex Extentabs|Quinidini sulfas|Quinidine sulfate hydrate|Quinidine sulfate CRS|Quinidinesulfatedihydrate|quinidine sulphate dihydrate|Quinidine sulfate monohydrate|Quinidine sulfate anhydrous|Quinidine sulfate [USP:JAN]|Quinidine sulphate anhydrous|Quinidine sulfate [USAN:JAN]|Quinidine, hemisulfate, hydrate|Quinidine sulfate salt dihydrate|QUININE SULFATE DIHYDRATE|Quinidine, sulfate, hydrate (2:1:2)|phenoxymethylpenicillin hydrabamine|QUINIDINE SULFATE [VANDF]|QUINIDINE SULFATE [MART.]|QUINIDINE SULFATE [USP-RS]|QUINIDINE SULFATE [WHO-IP]|Quinidine, sulfate (2:1) (salt)|5100AF|s3751|QUINIDINE SULFATE [ORANGE BOOK]|QUINIDINE SULFATE HYDRATE [JAN]|QUINIDINE SULFATE [EP MONOGRAPH]

CAS: 6591-72-6
Molecular Formula C40H54N4O10S
Molecular Weight 782.3561 g/mol
LogP 4.0442
Topological Polar Surface Area 176.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 14
Rotatable Bonds 8
Exact Mass 782.3561
Monoisotopic Mass 782.3561
Heavy Atoms 55
Complexity 538.0

Chemical Identifiers

CAS Number 6591-72-6
SMILES COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O
InChIKey ZHNFLHYOFXQIOW-AHSOWCEXSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Biotechnology (4 patents) Pharmaceutical Intermediates (3 patents) Photographic Chemicals (12 patents)

Product Overview

Quinidine sulfate dihydrate (CAS 6591-72-6), with molecular formula C40H54N4O10S and molecular weight 782.3561 g/mol. IUPAC: bis((S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate.

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