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Substance Name: 1H-Azepine-1-acetamide, hexahydro-N-(2,6-dimethylphenyl)-alpha-methyl-, monohydrochloride
RN: 135319-63-0
InChIKey: LREKMNCNWMWHJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O.Cl-H

Molecular Weight

  • 310.8663
 
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Names and Synonyms

Synonym

  • N-(2,6-Dimethylphenyl)-alpha-methyl-1H-hexahydroazepine-1-acetamide monohydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 135319-63-0

System Generated Number

  • 0135319630

Molecular Formulas

Molecular Formula

  • C17-H26-N2-O.Cl-H

Molecular Formula Fragments

  • C17-H26-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26N2O.ClH/c1-13-9-8-10-14(2)16(13)18-17(20)15(3)19-11-6-4-5-7-12-19;/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20);1H

InChIKey

LREKMNCNWMWHJA-UHFFFAOYSA-N

Smiles

Cc1cccc(c1NC(=O)C(C)N2CCCCCC2)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 79, 1991.