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Substance Name: Valeric acid, 3-methyl-2-phenyl-, 3-piperidinopropyl ester, hydrochloride
RN: 78372-17-5
InChIKey: WBWMTVIYAXQNIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Weight

  • 353.9308
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2-phenylvaleric acid 3-piperidinopropyl ester hydrochloride
  • 3-Piperidinopropyl 2-phenyl-3-methylpentanoate hydrochloride
  • 3-Piperidinopropyl 2-phenyl-3-methylvalerate hydrochloride
  • 3-Piperidinopropyl alpha-phenyl-beta-methylvalerate hydrochloride
  • C 4178

Systematic Name

  • Valeric acid, 3-methyl-2-phenyl-, 3-piperidinopropyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 78372-17-5

System Generated Number

  • 0078372175

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO2.ClH/c1-3-17(2)19(18-11-6-4-7-12-18)20(22)23-16-10-15-21-13-8-5-9-14-21;/h4,6-7,11-12,17,19H,3,5,8-10,13-16H2,1-2H3;1H

InChIKey

WBWMTVIYAXQNIP-UHFFFAOYSA-N

Smiles

CCC(C)C(c1ccccc1)C(=O)OCCCN2CCCCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 26500ug/kg (26.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 1119, 1961.