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Substance Name: Quinine isopropylchloride
RN: 63717-10-2
InChIKey: IQHTWFLGOPQPHD-XJXJHPFJSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O2.C3-H7-Cl

Molecular Weight

  • 402.9629
 
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Names and Synonyms

Results Name

  • Quinine isopropylchloride

Synonym

  • Quinine, isopropylchloride

Systematic Name

  • Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-, compd. with 2-chloropropane (1:1)

Registry Numbers

CAS Registry Number

  • 63717-10-2

System Generated Number

  • 0063717102

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C3-H7-Cl

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C3-H7-Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31N2O2.ClH/c1-5-16-14-25(15(2)3)11-9-17(16)12-22(25)23(26)19-8-10-24-21-7-6-18(27-4)13-20(19)21;/h5-8,10,13,15-17,22-23,26H,1,9,11-12,14H2,2-4H3;1H/q+1;/p-1/t16?,17?,22-,23+,25?;/m1./s1

InChIKey

IQHTWFLGOPQPHD-XJXJHPFJSA-M

Smiles

[Cl-].COc1ccc2nccc([C@H](O)[C@@H]3CC4CC[N+]3(CC4C=C)C(C)C)c2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 9300ug/kg (9.3mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.
rabbit LD50 intravenous 13200ug/kg (13.2mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.
rat LD50 intravenous 20800ug/kg (20.8mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.