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Substance Name: Carbanilic acid, p-heptyloxy-, 2-piperidinoethyl ester, hydrochloride
RN: 55792-23-9
InChIKey: LVZBMEOGPGFHKB-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

  • (4-(Heptyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride
  • Carbamic acid, (4-(heptyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride
  • N-(2-(4-Heptyloxyphenylcarbamoyloxy)ethyl)piperidinium chloride
  • p-Heptyloxycarbanilic acid, 2-piperidinoethyl ester hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55792-23-9

Related Registry Number

  • 96593-21-4 (Parent)

System Generated Number

  • 0055792239

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

InChIKey

LVZBMEOGPGFHKB-UHFFFAOYSA-N

Smiles

c1(ccc(OCCCCCCC)cc1)NC(OCC[NH+]1CCCCC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 32, Pg. 1032, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.87 (none)   EXP
Water Solubility 0.514 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 1.61E-10 cm3/molecule-sec 25 EST

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