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Substance Name: 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
RN: 118564-57-1
InChIKey: ORNHFQJTAXWJMG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N2-O.Cl-H

Molecular Weight

  • 338.9199
 
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Names and Synonyms

Synonym

  • alpha-Ethyl-N-(2,4,6-trimethylphenyl)-1H-hexahydroazepine-1-acetamide monohydrochloride

Systematic Name

  • 1H-Azepine-1-acetamide, hexahydro-alpha-ethyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 118564-57-1

System Generated Number

  • 0118564571

Molecular Formulas

Molecular Formula

  • C19-H30-N2-O.Cl-H

Molecular Formula Fragments

  • C19-H30-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30N2O.ClH/c1-5-17(21-10-8-6-7-9-11-21)19(22)20-18-15(3)12-14(2)13-16(18)4;/h12-13,17H,5-11H2,1-4H3,(H,20,22);1H

InChIKey

ORNHFQJTAXWJMG-UHFFFAOYSA-N

Smiles

CCC(C(=O)Nc1c(cc(cc1C)C)C)N2CCCCCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 79, 1991.