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Substance Name: Hydroxycodeinone
RN: 508-54-3
UNII: 91138F771G
InChIKey: YYCRAERBSFHMPL-XFKAJCMBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O4

Molecular Weight

  • 313.3511
 
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Names and Synonyms

Name of Substance

  • Hydroxycodeinone

Synonyms

  • 14-Hydroxycodeinone
  • 14beta-Hydroxycodeinone
  • BRN 4552573
  • EINECS 208-085-8
  • Hydroxycodeinone
  • UNII-91138F771G

Systematic Names

  • (5alpha)-7,8-Didehydro-4,5-epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one
  • Codeinone, 14-hydroxy-
  • Morphinan-6-one, 7,8-didehydro-4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 508-54-3

FDA UNII

  • 91138F771G

System Generated Number

  • 0000508543

Structure Descriptors

InChI

1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3/t13-,16+,17+,18-/m1/s1

InChIKey

YYCRAERBSFHMPL-XFKAJCMBSA-N

Smiles

COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)C=C[C@@]35O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11800ug/kg (11.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacy and Pharmacology. Vol. 16(Suppl), Pg. 68T, 1964.
mouse LD50 subcutaneous 23mg/kg (23mg/kg)   "Public Health Reports, Supplement." Vol. 138, Pg. 27, 1938.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 275 dec deg C   EXP
log P (octanol-water) 0.740 (none)   EST
Atmospheric OH Rate Constant 2.19E-10 cm3/molecule-sec 25 EST

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