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Substance Name: 4-Piperidinol, 1-(1-phenyl-1-cyclohexyl)-, 3,4-dimethoxybenzoate, hydrochloride
RN: 102071-60-3
InChIKey: NPXIFCKCEUPNDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H33-N-O4.Cl-H

Molecular Weight

  • 460.0106
 
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Names and Synonyms

Synonyms

  • 3,4-Dimethoxybenzoic acid 1-(1-phenylcyclohexyl)-4-piperidyl ester hydrochloride
  • Benzoic acid, 3,4-dimethoxy-, 1-(1-phenyl-1-cyclohexyl)-4-piperidyl ester, hydrochloride

Systematic Name

  • 4-Piperidinol, 1-(1-phenyl-1-cyclohexyl)-, 3,4-dimethoxybenzoate, hydrochloride

Registry Numbers

CAS Registry Number

  • 102071-60-3

System Generated Number

  • 0102071603

Molecular Formulas

Molecular Formula

  • C26-H33-N-O4.Cl-H

Molecular Formula Fragments

  • C26-H33-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H33NO4.ClH/c1-29-23-12-11-20(19-24(23)30-2)25(28)31-22-13-17-27(18-14-22)26(15-7-4-8-16-26)21-9-5-3-6-10-21;/h3,5-6,9-12,19,22H,4,7-8,13-18H2,1-2H3;1H

InChIKey

NPXIFCKCEUPNDG-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)C(=O)OC2CCN(CC2)C3(CCCCC3)c4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 496, 1981.