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Substance Name: Carbamic acid, (3-(octyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride
RN: 55792-25-1
InChIKey: POYVBLZDHNJRJS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H36-N2-O3.Cl-H

Molecular Weight

  • 412.998
 
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Names and Synonyms

Synonym

  • (3-(Octyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride

Systematic Name

  • Carbamic acid, (3-(octyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 55792-25-1

System Generated Number

  • 0055792251

Molecular Formulas

Molecular Formula

  • C22-H36-N2-O3.Cl-H

Molecular Formula Fragments

  • C22-H36-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H36N2O3.ClH/c1-2-3-4-5-6-10-17-26-21-13-11-12-20(19-21)23-22(25)27-18-16-24-14-8-7-9-15-24;/h11-13,19H,2-10,14-18H2,1H3,(H,23,25);1H

InChIKey

POYVBLZDHNJRJS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 700mg/kg (700mg/kg)   Acta Facultatis Pharmaceuticae, Universitatis Comenianae. Vol. 29, Pg. 53, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.82 (none)   EXP
Water Solubility 0.466 mg/L 25 EST
Vapor Pressure 8.93E-09 mm Hg 25 EST
Henry's Law Constant 6.37E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.26E-10 cm3/molecule-sec 25 EST

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