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Substance Name: Hydroquinine
RN: 522-66-7
UNII: 31J3Q51T6L
InChIKey: LJOQGZACKSYWCH-WZBLMQSHSA-N

Molecular Formula

  • C20-H26-N2-O2

Molecular Weight

  • 326.4374
 
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Names and Synonyms

Name of Substance

  • Hydroquinine

Synonyms

  • Dihydroquinine
  • EINECS 208-334-0
  • NSC 41799
  • Quinine, 10,11-dihydro-
  • UNII-31J3Q51T6L

Systematic Names

  • Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8alpha,9R)- (9CI)
  • Hydroquinine

Registry Numbers

CAS Registry Number

  • 522-66-7

FDA UNII

  • 31J3Q51T6L

System Generated Number

  • 0000522667

Structure Descriptors

InChI

1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1

InChIKey

LJOQGZACKSYWCH-WZBLMQSHSA-N

Smiles

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 172.5 deg C   EXP
log P (octanol-water) 3.430 (none)   EST
Water Solubility 290 mg/L 25 EXP
Vapor Pressure 1.03E-10 mm Hg 25 EST
Henry's Law Constant 1.15E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.51E-10 cm3/molecule-sec 25 EST

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