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747-45-5

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Basic Information
CAS No.: 747-45-5
Name: QUINIDINE BISULFATE
Molecular Structure:
Molecular Structure of 747-45-5 (QUINIDINE BISULFATE)
Formula: C20H24N2O2•H2O4S
Molecular Weight: 746.925
Synonyms: Quinidinebisulfate
Boiling Point: 495.9°C at 760 mmHg
Flash Point: 253.7°C
Safety: Human systemic effects by ingestion: vascular changes, joint changes. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 128.57000
LogP: 3.53910
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Chemistry

Product Name: Quinidine bisulfate (CAS NO.747-45-5)


Molecular Formula: C20H26N2O6S
Molecular Weight: 422.5g/mol
Mol File: 747-45-5.mol
Einecs: 212-020-9
Boiling point: 647.9 °C at 760 mmHg
Flash Point: 345.7 °C
Enthalpy of Vaporization: 100.4 kJ/mol
Vapour Pressure: 1.13E-17 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 8
Structure Descriptors of Quinidine bisulfate (CAS NO.747-45-5):
  IUPAC Name: (S)-[(5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol; sulfuric acid
  Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O
  Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O
  InChI: InChI=1S/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)/t13-,14?,19+,20-;/m0./s1 
  InChIKey: AKYHKWQPZHDOBW-KYNMMFKBSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 225mg/kg/3W-I (225mg/kg) VASCULAR: OTHER CHANGES Archives of Internal Medicine. Vol. 145, Pg. 2051, 1985.
women TDLo oral 210mg/kg/3W-I (210mg/kg) MUSCULOSKELETAL: JOINTS Annals of Internal Medicine. Vol. 108, Pg. 369, 1988.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Human systemic effects by ingestion: vascular changes, joint changes. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

 Quinidine bisulfate ,its CAS NO. is 747-45-5,the synonyms is (9S)-6'-Methoxycinchonan-9-ol sulfate (1:1) (salt) ; Biquin durules ; Chinidin VUFB ; Chinidin duriles ; EINECS 212-020-9 ; Kinidin duretter ; Kinidin durules ; Kinilentin ; Optochinidin ; Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (1:1) ; Cinchonan-9-ol, 6'-methoxy-, (9S)-, sulfate (1:1) (salt) ; Quinidine hydrogen sulphate ; Quinidine, sulfate (1:1) (salt) .