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Substance Name: Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride
RN: 55792-22-8
InChIKey: FWXCTXLSDFLQJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-N2-O3.Cl-H

Molecular Weight

  • 398.971
 
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Names and Synonyms

Synonyms

  • (3-(Heptyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride
  • Carbamic acid, (3-(heptyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride
  • m-Heptyloxycarbanilic acid, 2-piperidinoethyl ester hydrochloride
  • N-(2-(3-Heptyloxyphenylcarbamoyloxy)ethyl)piperidinium chloride

Systematic Name

  • Carbanilic acid, m-heptyloxy-, 2-piperidinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 55792-22-8

System Generated Number

  • 0055792228

Molecular Formulas

Molecular Formula

  • C21-H34-N2-O3.Cl-H

Molecular Formula Fragments

  • C21-H34-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H34N2O3.ClH/c1-2-3-4-5-9-16-25-20-12-10-11-19(18-20)22-21(24)26-17-15-23-13-7-6-8-14-23;/h10-12,18H,2-9,13-17H2,1H3,(H,22,24);1H

InChIKey

FWXCTXLSDFLQJC-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)OCCCCCCC)NC(OCC[NH+]1CCCCC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 85mg/kg (85mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 32, Pg. 1032, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.53 (none)   EXP
Water Solubility 1.000 mg/L 25 EST
Vapor Pressure 2.12E-08 mm Hg 25 EST
Henry's Law Constant 4.80E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.24E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.