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Substance Name: Quininone
RN: 84-31-1
UNII: 956671AJG7
InChIKey: SRFCUPVBYYAMIL-NJSLBKSFSA-N

Note

  • Converted from quinidine by resting cells of Hansenula anomala.

Molecular Formula

  • C20-H22-N2-O2

Molecular Weight

  • 322.4058
 
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Names and Synonyms

Name of Substance

  • Quininone

Synonyms

  • EINECS 201-524-4
  • NSC 15307
  • Quininone
  • UNII-956671AJG7

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 84-31-1

FDA UNII

  • 956671AJG7

System Generated Number

  • 0000084311

Structure Descriptors

InChI

1S/C20H22N2O2/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/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14-,19-/m0/s1

InChIKey

SRFCUPVBYYAMIL-NJSLBKSFSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108 deg C   EXP
log P (octanol-water) 4.240 (none)   EST
Water Solubility 3 mg/L 20 EXP
Atmospheric OH Rate Constant 1.11E-10 cm3/molecule-sec 25 EST

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