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Substance Name: Hexanoic acid, 2-ethyl-2-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester, monohydrochloride
RN: 31364-63-3
InChIKey: WKVKEPHQOIKPIH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H34-N2-O2.Cl-H

Molecular Weight

  • 334.928
 
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Names and Synonyms

Synonym

  • 2-Ethyl-2-methylhexanoic acid 3-(4-methyl-1-piperazinyl)propyl ester hydrochloride

Systematic Name

  • Hexanoic acid, 2-ethyl-2-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 31364-63-3

System Generated Number

  • 0031364633

Molecular Formulas

Molecular Formula

  • C17-H34-N2-O2.Cl-H

Molecular Formula Fragments

  • C17-H34-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H34N2O2.ClH/c1-5-7-9-17(3,6-2)16(20)21-15-8-10-19-13-11-18(4)12-14-19;/h5-15H2,1-4H3;1H

InChIKey

WKVKEPHQOIKPIH-UHFFFAOYSA-N

Smiles

C([C@@](CCCC)(CC)C)(OCCC[NH+]1CCN(C)CC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 138mg/kg (138mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 14, 1971.