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Substance Name: Wa 494Cl
RN: 52335-39-4
InChIKey: JHKZXEIMWFQKAF-TYJGGPFLSA-N

Note

  • Morphine antagonist.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C21-H23-N-O3.Cl-H
  • C21-H23-N-O3.Cl-H.H2-O

Molecular Weight

  • 373.878
 
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Names and Synonyms

Name of Substance

  • Wa 494Cl

Synonyms

  • (-)-N-(3-Furylmethyl)-nordesomorphin-hydrochlorid-monohydrat
  • (-)-N-(3-Furylmethyl)-nordesomorphin-hydrochlorid-monohydrat [German]
  • (5-alpha)-4,5-Epoxy-17-(3-furanylmethyl)morphinan-3-ol hydrochloride hydrate
  • NSC 292249
  • WA 494-C1 hydrate

Systematic Names

  • (5alpha)-4,5-Epoxy-17-(3-furanylmethyl)morphinan-3-ol, hydrochloride
  • Morphinan-3-ol, 4,5-epoxy-17-(3-furanylmethyl)-, hydrochloride, hydrate, (5-alpha)-

Registry Numbers

CAS Registry Number

  • 52335-39-4

System Generated Number

  • 0052335394

Molecular Formulas

Molecular Formulas

  • C21-H23-N-O3.Cl-H
  • C21-H23-N-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C21-H23-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H23NO3.ClH/c23-17-5-4-14-10-16-15-2-1-3-18-21(15,19(14)20(17)25-18)7-8-22(16)11-13-6-9-24-12-13;/h4-6,9,12,15-16,18,23H,1-3,7-8,10-11H2;1H/t15-,16+,18-,21+;/m0./s1

InChIKey

JHKZXEIMWFQKAF-TYJGGPFLSA-N

Smiles

Cl.c1c(C[N@@]2[C@H]3[C@H]4[C@@]5(c6c(c(ccc6C3)O)O[C@H]5CCC4)CC2)coc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 211mg/kg (211mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 2009, 1976.