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Substance Name: Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
RN: 60529-86-4
InChIKey: MMPRLPYTZFAKLD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O2.Cl-H

Molecular Weight

  • 298.8117
 
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Names and Synonyms

Synonyms

  • 1H-Azepine-1-ethanol, hexahydro-, carbanilate, hydrochloride
  • 1H-Azepine-1-ethanol, hexahydro-, phenylcarbamate (ester), monohydrochloride
  • 2-(Hexahydro-1H-azepin-1-yl)ethyl carbanilate hydrochloride

Systematic Name

  • Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 60529-86-4

System Generated Number

  • 0060529864

Molecular Formulas

Molecular Formula

  • C15-H22-N2-O2.Cl-H

Molecular Formula Fragments

  • C15-H22-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H22N2O2.ClH/c18-15(16-14-8-4-3-5-9-14)19-13-12-17-10-6-1-2-7-11-17;/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18);1H

InChIKey

MMPRLPYTZFAKLD-UHFFFAOYSA-N

Smiles

c1ccc(cc1)NC(=O)OCCN2CCCCCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 300mg/kg (300mg/kg)   Cesko-Slovenska Farmacie. Vol. 25, Pg. 118, 1976.