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Substance Name: 1H-Azepine-1-acetamide, hexahydro-alpha-propyl-N-(2,4,6-trimethylphenyl)-, monohydrochloride
RN: 118564-59-3
InChIKey: MRIWLJWSERRNPV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-N2-O.Cl-H

Molecular Weight

  • 352.9467
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 118564-59-3

System Generated Number

  • 0118564593

Molecular Formulas

Molecular Formula

  • C20-H32-N2-O.Cl-H

Molecular Formula Fragments

  • C20-H32-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H32N2O.ClH/c1-5-10-18(22-11-8-6-7-9-12-22)20(23)21-19-16(3)13-15(2)14-17(19)4;/h13-14,18H,5-12H2,1-4H3,(H,21,23);1H

InChIKey

MRIWLJWSERRNPV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 79, 1991.