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Substance Name: Quinine butylchloride
RN: 63717-06-6
InChIKey: DMNGQHXPFKCWOC-HPABIPFQSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O2.C4-H9-Cl

Molecular Weight

  • 416.9897
 
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Names and Synonyms

Results Name

  • Quinine butylchloride

Synonyms

  • Butane, 1-chloro-, compd. with (8-alpha,9R)-6'-methoxycinchonan-9-ol (1:1)
  • Quinine, n-butylchloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63717-06-6

System Generated Number

  • 0063717066

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C4-H9-Cl

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C4-H9-Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C24H33N2O2.ClH/c1-4-6-12-26-13-10-18(17(5-2)16-26)14-23(26)24(27)20-9-11-25-22-8-7-19(28-3)15-21(20)22;/h5,7-9,11,15,17-18,23-24,27H,2,4,6,10,12-14,16H2,1,3H3;1H/q+1;/p-1/t17?,18?,23-,24+,26?;/m1./s1

InChIKey

DMNGQHXPFKCWOC-HPABIPFQSA-M

Smiles

[Cl-].CCCC[N+]12CCC(C[C@H]1[C@@H](O)c3ccnc4ccc(OC)cc34)C(C2)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 9500ug/kg (9.5mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.
rabbit LD50 intravenous 5800ug/kg (5.8mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.
rat LD50 intravenous 7200ug/kg (7.2mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 266, 1944.