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73771-81-0

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Basic Information
CAS No.: 73771-81-0
Name: QUININE ETHIODIDE
Molecular Structure:
Molecular Structure of 73771-81-0 (QUININE ETHIODIDE )
Formula: C22H29N2O2•I
Molecular Weight: 480.43
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I− and NOx. See also QUININE and IODIDES.
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  • QUININE ETHIODIDE

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    73771-81-0

    QUININE ETHIODIDE

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Chemistry

Product Name: Quinine ethiodide (CAS NO.73771-81-0)


Molecular Formula: C22H29N2O2•I
Molecular Weight: 480.43g/mol
Mol File: 73771-81-0.mol
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Quinine ethiodide (CAS NO.73771-81-0):
  IUPAC Name: (S)-[(7R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol iodide
  Canonical SMILES: CC[N+]12CCC(CC1C(C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-]
  Isomeric SMILES: CC[N+]12CCC(C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)C(C2)C=C.[I-]
  InChI: InChI=1S/C22H29N2O2.HI/c1-4-15-14-24(5-2)11-9-16(15)12-21(24)22(25)18-8-10-23-20-7-6-17(26-3)13-19(18)20;/h4,6-8,10,13,15-16,21-22,25H,1,5,9,11-12,14H2,2-3H3;1H/q+1;/p-1/t15?,16?,21-,22+,24?;/m1./s1 
  InChIKey: QGKRCDXLQCXCNP-NYHCBIMJSA-M

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 9mg/kg (9mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 127, 1947.
rat LDLo intravenous 23mg/kg (23mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 127, 1947.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of I− and NOx. See also QUININE and IODIDES.

Specification

 Quinine ethiodide ,its CAS NO. is 73771-81-0,the synonyms is (8-alpha,9R)-1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium iodide ; 6-(1-Hydroxy-1-(6-methoxy-4-quinolinyl)methyl)-1-ethyl-3-vinylquinuclidinium iodide ; Quinuclidinium, 6-(hydroxy(6-methoxy-4-quinolinyl)methyl)-1-ethyl-3-vinyl-, iodide ; Cinchonan-1-ium, 1-ethyl-9-hydroxy-6'-methoxy-, iodide, (8-alpha,9R)- .