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Substance Name: Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride
RN: 98207-11-5
InChIKey: KOQWLTGLLFUYRJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N2-O2.Cl-H

Molecular Weight

  • 431.0165
 
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Names and Synonyms

Synonym

  • 2-(4-Phenyl-1-piperazinyl)ethyl 2-(4-isobutylphenyl)propionate hydrochloride

Systematic Name

  • Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 98207-11-5

System Generated Number

  • 0098207115

Molecular Formulas

Molecular Formula

  • C25-H34-N2-O2.Cl-H

Molecular Formula Fragments

  • C25-H34-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H34N2O2.ClH/c1-20(2)19-22-9-11-23(12-10-22)21(3)25(28)29-18-17-26-13-15-27(16-14-26)24-7-5-4-6-8-24;/h4-12,20-21H,13-19H2,1-3H3;1H

InChIKey

KOQWLTGLLFUYRJ-UHFFFAOYSA-N

Smiles

CC(C)Cc1ccc(cc1)C(C)C(=O)OCCN2CCN(CC2)c3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2060mg/kg (2060mg/kg)   European Patent Application. Vol. #0141884,