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Substance Name: Quinine salicylate [NF]
RN: 750-90-3
UNII: 6DY04L71DR
InChIKey: MAYUSTFJKJSJNC-DSXUQNDKSA-N

Molecular Formula

  • C20-H24-N2-O2.C7-H6-O3

Molecular Weight

  • 462.543
 
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Names and Synonyms

Name of Substance

  • Quinine salicylate [NF]

Synonyms

  • EINECS 212-027-7
  • Quinine salicylate
  • UNII-6DY04L71DR

Systematic Names

  • Quinine monosalicylate (salt)
  • Quinine salicylate

Registry Numbers

CAS Registry Number

  • 750-90-3

FDA UNII

  • 6DY04L71DR

System Generated Number

  • 0000750903

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C7-H6-O3

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C7-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.C7H6O3/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;8-6-4-2-1-3-5(6)7(9)10/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4,8H,(H,9,10)/t13-,14-,19-,20+;/m0./s1

InChIKey

MAYUSTFJKJSJNC-DSXUQNDKSA-N

Smiles

COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.c1ccc(c(c1)C(=O)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 195 deg C   EXP
log P (octanol-water) 3.290 (none)   EST
Atmospheric OH Rate Constant 1.75E-10 cm3/molecule-sec 25 EST

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