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Substance Name: Quinine formate
RN: 130-90-5
UNII: F87792011E
InChIKey: LKUVXQMSYPYURB-DSXUQNDKSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C20-H24-N2-O2.C-H2-O2

Molecular Weight

  • 370.4464
 
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Names and Synonyms

Name of Substance

  • Quinine formate

Synonyms

  • EINECS 205-002-7
  • Formic acid, compd. with quinine (1:1)
  • Quinine formate
  • Quinoform
  • UNII-F87792011E

Systematic Names

  • Quinine formate
  • Quinine, formate (salt)

Registry Numbers

CAS Registry Number

  • 130-90-5

FDA UNII

  • F87792011E

System Generated Number

  • 0000130905

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C-H2-O2

Molecular Formula Fragments

  • C-H2-O2
  • C20-H24-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.CH2O2/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;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H,(H,2,3)/t13-,14-,19-,20+;/m0./s1

InChIKey

LKUVXQMSYPYURB-DSXUQNDKSA-N

Smiles

COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intramuscular 290mg/kg (290mg/kg)   Therapie. Vol. 26, Pg. 563, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 149.5 deg C   EXP
log P (octanol-water) 3.750 (none)   EST
Atmospheric OH Rate Constant 1.70E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.