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Substance Name: 1H-Azepine-1-butanamide, hexahydro-N-(2,4,6-trimethylphenyl)-, monohydrochloride
RN: 121513-29-9
InChIKey: HIKYZXRGKBIXIE-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

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 121513-29-9

System Generated Number

  • 0121513299

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

InChIKey

HIKYZXRGKBIXIE-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C)NC(=O)CCCN2CCCCCC2)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 93300ug/kg (93.3mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 222, 1989.