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Substance Name: 1H-Azepine-1-propanamide, hexahydro-N-(2,4,6-trimethylphenyl)-, monohydrochloride
RN: 121513-28-8
InChIKey: PAECWORPKJKOHZ-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

  • Hexahydro-N-(2,4,6-trimethylphenyl)-1H-azepine-1-propanamide monohydrochloride

Systematic Name

  • 1H-Azepine-1-propanamide, hexahydro-N-(2,4,6-trimethylphenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 121513-28-8

System Generated Number

  • 0121513288

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

InChIKey

PAECWORPKJKOHZ-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C)NC(=O)CCN2CCCCCC2)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 89200ug/kg (89.2mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 222, 1989.