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Substance Name: 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-7,8-dimethyl-, hydrochloride
RN: 56071-30-8
InChIKey: VZFKCRCRMYTXRK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O.Cl-H

Molecular Weight

  • 227.733
 
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Names and Synonyms

Synonym

  • 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride

Systematic Name

  • 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-7,8-dimethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 56071-30-8

System Generated Number

  • 0056071308

Molecular Formulas

Molecular Formula

  • C12-H17-N-O.Cl-H

Molecular Formula Fragments

  • C12-H17-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17NO.ClH/c1-8-6-10-11(13)4-3-5-14-12(10)7-9(8)2;/h6-7,11H,3-5,13H2,1-2H3;1H

InChIKey

VZFKCRCRMYTXRK-UHFFFAOYSA-N

Smiles

c12c(cc(C)c(c1)C)[C@@H](CCCO2)[NH3+].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 37mg/kg (37mg/kg)   Indian Journal of Chemistry. Vol. 13, Pg. 1, 1975.