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Substance Name: 1H-Azepine-1-acetamide, hexahydro-alpha-methyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
RN: 118564-53-7
InChIKey: FUZZCRAKVIUQND-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N2-O.Cl-H

Molecular Weight

  • 324.8931
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 118564-53-7

System Generated Number

  • 0118564537

Molecular Formulas

Molecular Formula

  • C18-H28-N2-O.Cl-H

Molecular Formula Fragments

  • C18-H28-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H28N2O.ClH/c1-13-11-14(2)17(15(3)12-13)19-18(21)16(4)20-9-7-5-6-8-10-20;/h11-12,16H,5-10H2,1-4H3,(H,19,21);1H

InChIKey

FUZZCRAKVIUQND-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C)NC(=O)C(C)N2CCCCCC2)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 146mg/kg (146mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 79, 1991.