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Substance Name: Cupreine
RN: 524-63-0
UNII: 73J76E056V
InChIKey: VJFMSYZSFUWQPZ-BIPCEHGGSA-N

Note

  • Urinary quinine metabolite; cpd is O-demethylquinine.

Molecular Formula

  • C19-H22-N2-O2

Molecular Weight

  • 310.3948
 
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Names and Synonyms

Name of Substance

  • 6'-Hydroxycinchonidine
  • Cupreine

Synonyms

  • EINECS 208-363-9
  • UNII-73J76E056V

Systematic Name

  • Cupreine

Registry Numbers

CAS Registry Number

  • 524-63-0

FDA UNII

  • 73J76E056V

Related Registry Numbers

  • 70832-33-6 (di-hydrochloride)
  • 72436-12-5 (mono-hydrochloride)

System Generated Number

  • 0000524630

Structure Descriptors

InChI

1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18-,19+/m0/s1

InChIKey

VJFMSYZSFUWQPZ-BIPCEHGGSA-N

Smiles

C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 202 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Atmospheric OH Rate Constant 1.82E-10 cm3/molecule-sec 25 EST

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