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Substance Name: Quinine bisulfate [NF]
RN: 549-56-4
UNII: M201HC068W
InChIKey: AKYHKWQPZHDOBW-DSXUQNDKSA-N

Molecular Formula

  • C20-H24-N2-O2.H2-O4-S

Molecular Weight

  • 422.4994
 
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Names and Synonyms

Name of Substance

  • Quinine bisulfate [NF]

Synonyms

  • 6'-Methoxycinchonan-9-ol sulfate, (8alpha,9R)-, (1:1)
  • 8alpha,9R-6'-Methoxycinchonan-9-ol, sulfate (1:1) salt
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:1) (salt)
  • EC 208-970-9
  • EINECS 208-970-9
  • FEMA No. 2975
  • Quinine bisulfate
  • Quinine hydrogen sulfate
  • Quinine sulfate (1:1)
  • Quinine, sulfate (1:1) (salt)
  • UNII-M201HC068W

Systematic Names

  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:1)
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, sulfate (1:1) (salt)
  • Quinine hydrogen sulphate

Superlist Name

  • Quinine bisulfate

Registry Numbers

CAS Registry Number

  • 549-56-4

FDA UNII

  • M201HC068W

Other Registry Number

  • 906327-92-2

System Generated Number

  • 0000549564

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.H2-O4-S

Molecular Formula Fragments

  • C20-H24-N2-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C20H24N2O2.H2O4S/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;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14-,19-,20+;/m0./s1

InChIKey

AKYHKWQPZHDOBW-DSXUQNDKSA-N

Smiles

S(=O)(=O)(O)O.[C@@H]12[C@H](CN([C@@H](C1)[C@@H](c1ccnc3c1cc(OC)cc3)O)CC2)C=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.210 (none)   EST
Water Solubility 1.08E+04 mg/L 25 EXP
Vapor Pressure 9.04E-10 mm Hg 25 EST
Henry's Law Constant 1.45E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-10 cm3/molecule-sec 25 EST

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