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Substance Name: trans-Isomorphine hydrochloride
RN: 28379-51-3
InChIKey: XCKKIKBIPZJUET-SHFALZIZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N-O3.Cl-H

Molecular Weight

  • 321.802
 
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Names and Synonyms

Results Name

  • trans-Isomorphine hydrochloride

Synonym

  • trans-Isomorphine hydrochloride

Systematic Name

  • 14-alpha-Morphinan-3,6-beta-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 28379-51-3

System Generated Number

  • 0028379513

Molecular Formulas

Molecular Formula

  • C17-H19-N-O3.Cl-H

Molecular Formula Fragments

  • C17-H19-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11-,13-,16+,17+;/m1./s1

InChIKey

XCKKIKBIPZJUET-SHFALZIZSA-N

Smiles

c1(c2c3[C@@]45[C@@H](O2)[C@H](O)C=C[C@@H]4[C@@H](Cc3cc1)[N@](CC5)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo unreported 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 973, 1970.