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Substance Name: Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
RN: 105384-13-2
InChIKey: NQKRYXNAVXGWQI-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

Synonyms

  • Carbamic acid, (2-(heptyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, monohydrochloride
  • o-(Heptyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochloride
  • PAK 4427

Systematic Name

  • Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 105384-13-2

System Generated Number

  • 0105384132

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

InChIKey

NQKRYXNAVXGWQI-UHFFFAOYSA-N

Smiles

c1(c(cccc1)OCCCCCCC)NC(OC1CC[NH+](CCCC)CC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 600mg/kg (600mg/kg)   Cesko-Slovenska Farmacie. Vol. 35, Pg. 299, 1986.