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Substance Name: trans-Codeine hydrobromide
RN: 16206-71-6
InChIKey: XOXNTPXYPCJBHI-WKGHHLRDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O3.Br-H

Molecular Weight

  • 380.28
 
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Names and Synonyms

Results Name

  • trans-Codeine hydrobromide

Synonyms

  • (+)-3-Methoxy-6-alpha-hydroxy-4,5-alpha-epoxy-delta(sup 7)-N-methylisomorphinan HBr
  • trans-Codeine hydrobromide

Systematic Name

  • 14-alpha-Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 16206-71-6

System Generated Number

  • 0016206716

Molecular Formulas

Molecular Formula

  • C18-H21-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H21-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO3.BrH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H/t11-,12-,13+,17+,18+;/m1./s1

InChIKey

XOXNTPXYPCJBHI-WKGHHLRDSA-N

Smiles

c1(ccc2c3[C@@]45[C@@H](Oc13)[C@@H](O)C=C[C@@H]4[C@@H](C2)[N@](CC5)C)OC.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 148mg/kg (148mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 973, 1970.