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Substance Name: Carbanilic acid, p-butoxy-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
RN: 60558-10-3
InChIKey: RSCKXXQRUKOQEA-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 p-butoxycarbanilate hydrochloride
  • p-Butoxycarbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60558-10-3

System Generated Number

  • 0060558103

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

InChIKey

RSCKXXQRUKOQEA-UHFFFAOYSA-N

Smiles

c1(NC(OCC[NH+]2CCCCCC2)=O)ccc(OCCCC)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Cesko-Slovenska Farmacie. Vol. 25, Pg. 118, 1976.