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Substance Name: 1-Piperazineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-4-methyl-, hydrate (2:1)
RN: 139084-69-8
InChIKey: BHCBJJGOEHGPJQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-Cl-N2-O3.1/2H2-O

Molecular Weight

  • 310.7791
 
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Names and Synonyms

Synonym

  • alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-4-methyl-1-piperazineacetic acid hydrate (2:1)

Systematic Name

  • 1-Piperazineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-4-methyl-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 139084-69-8

System Generated Number

  • 0139084698

Molecular Formulas

Molecular Formula

  • C15-H19-Cl-N2-O3.1/2H2-O

Molecular Formula Fragments

  • C15-H19-Cl-N2-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C15H19ClN2O3/c1-17-6-8-18(9-7-17)13(15(20)21)10-14(19)11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,20,21)

InChIKey

BHCBJJGOEHGPJQ-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C(CC(=O)c2ccc(cc2)Cl)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 437mg/kg (437mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 43, Pg. 271, 1991.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 43, Pg. 271, 1991.