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Substance Name: Carbanilic acid, m-butoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
RN: 60558-09-0
InChIKey: ZUIARVUMQPKBDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N2-O3.Cl-H

Molecular Weight

  • 370.918
 
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Names and Synonyms

Synonyms

  • 2-(Hexahydro-1H-azepin-1-yl)ethyl m-butoxycarbanilate hydrochloride
  • m-Butoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60558-09-0

System Generated Number

  • 0060558090

Molecular Formulas

Molecular Formula

  • C19-H30-N2-O3.Cl-H

Molecular Formula Fragments

  • C19-H30-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30N2O3.ClH/c1-2-3-14-23-18-10-8-9-17(16-18)20-19(22)24-15-13-21-11-6-4-5-7-12-21;/h8-10,16H,2-7,11-15H2,1H3,(H,20,22);1H

InChIKey

ZUIARVUMQPKBDY-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)OCCCC)NC(OCC[NH+]1CCCCCC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 50mg/kg (50mg/kg)   Cesko-Slovenska Farmacie. Vol. 25, Pg. 118, 1976.