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Substance Name: 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium
RN: 136377-41-8
InChIKey: VOIHYGPFXIEUCI-GQNCZFCYSA-N

Molecular Formula

  • C13-H17-N.C2-H2-O4

Molecular Weight

  • 277.3181
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-1,2,3,4,5,6-hexahydro-1,6-methano-3-benzazocinium

Synonym

  • 3-Mhmb

Systematic Name

  • 1,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 136377-41-8

System Generated Number

  • 0136377418

Molecular Formulas

Molecular Formula

  • C13-H17-N.C2-H2-O4

Molecular Formula Fragments

  • C13-H17-N
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17N.C2H2O4/c1-14-7-6-10-8-11(9-14)13-5-3-2-4-12(10)13;3-1(4)2(5)6/h2-5,10-11H,6-9H2,1H3;(H,3,4)(H,5,6)/t10?,11-;/m0./s1

InChIKey

VOIHYGPFXIEUCI-GQNCZFCYSA-N

Smiles

CN1CCC2C[C@@H](C1)c3c2cccc3.C(=O)(C(=O)O)O