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Substance Name: Epiquinine
RN: 572-60-1
UNII: 4M9989F55E
InChIKey: LOUPRKONTZGTKE-FEBSWUBLSA-N

Molecular Formula

  • C20-H24-N2-O2

Molecular Weight

  • 324.4216
 
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Names and Synonyms

Name of Substance

  • Epiquinine

Synonyms

  • (8alpha,9S)-6'-Methoxycinchonan-9-ol
  • 9-Epiquinine
  • EINECS 209-341-1
  • UNII-4M9989F55E

Systematic Names

  • (8alpha,9S)-6'-Methoxycinchonan-9-ol
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9S)-

Registry Numbers

CAS Registry Number

  • 572-60-1

FDA UNII

  • 4M9989F55E

System Generated Number

  • 0000572601

Structure Descriptors

InChI

1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m0/s1

InChIKey

LOUPRKONTZGTKE-FEBSWUBLSA-N

Smiles

COc1ccc2nccc([C@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 2.920 (none)   EST
Atmospheric OH Rate Constant 2.59E-10 cm3/molecule-sec 25 EST

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