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Substance Name: Cyclohexaneacetic acid, 2-hydroxy-alpha-phenyl-, 1-methyl-4-piperidylmethyl ester, hydrochloride
RN: 101564-14-1
InChIKey: CSVCUPLYHXBEGH-UHFFFAOYSA-N

Molecular Formula

  • C21-H31-N-O3.Cl-H

Molecular Weight

  • 381.9408
 
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Names and Synonyms

Synonym

  • (1-Methyl-3-piperidyl)methyl-(1-hydroxycyclohexyl)phenylacetate hydrochloride

Systematic Name

  • Cyclohexaneacetic acid, 2-hydroxy-alpha-phenyl-, 1-methyl-4-piperidylmethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101564-14-1

System Generated Number

  • 0101564141

Molecular Formulas

Molecular Formula

  • C21-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H31NO3.ClH/c1-22-13-11-16(12-14-22)15-25-21(24)20(17-7-3-2-4-8-17)18-9-5-6-10-19(18)23;/h2-4,7-8,16,18-20,23H,5-6,9-15H2,1H3;1H

InChIKey

CSVCUPLYHXBEGH-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)COC(=O)C(c2ccccc2)C3CCCCC3O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 63mg/kg (63mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11404,