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Substance Name: Carbanilic acid, o-(octyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
RN: 60558-19-2
InChIKey: NGBABOYYNGBCDE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H38-N2-O3.Cl-H

Molecular Weight

  • 427.025
 
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Names and Synonyms

Synonym

  • o-(Octyloxy)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60558-19-2

System Generated Number

  • 0060558192

Molecular Formulas

Molecular Formula

  • C23-H38-N2-O3.Cl-H

Molecular Formula Fragments

  • C23-H38-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H38N2O3.ClH/c1-2-3-4-5-8-13-19-27-22-15-10-9-14-21(22)24-23(26)28-20-18-25-16-11-6-7-12-17-25;/h9-10,14-15H,2-8,11-13,16-20H2,1H3,(H,24,26);1H

InChIKey

NGBABOYYNGBCDE-UHFFFAOYSA-N

Smiles

c1(c(NC(OCC[NH+]2CCCCCC2)=O)cccc1)OCCCCCCCC.[ClH-]

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.