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Substance Name: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-phenyl-, oxalate
RN: 23892-69-5
InChIKey: DBYVHXWWAGOIEC-UHFFFAOYSA-N

Molecular Formula

  • C25-H27-Cl-N2-S.C2-H2-O4

Molecular Weight

  • 513.055
 
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Names and Synonyms

Synonym

  • 1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-phenylpiperazine oxalate

Systematic Name

  • Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-phenyl-, oxalate

Registry Numbers

CAS Registry Number

  • 23892-69-5

System Generated Number

  • 0023892695

Molecular Formulas

Molecular Formula

  • C25-H27-Cl-N2-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H27-Cl-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27ClN2S.C2H2O4/c26-23-13-11-22(12-14-23)25(21-7-3-1-4-8-21)29-20-19-27-15-17-28(18-16-27)24-9-5-2-6-10-24;3-1(4)2(5)6/h1-14,25H,15-20H2;(H,3,4)(H,5,6)

InChIKey

DBYVHXWWAGOIEC-UHFFFAOYSA-N

Smiles

N1(CCN(CCS[C@@H](c2ccc(cc2)Cl)c2ccccc2)CC1)c1ccccc1.C(=O)(O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.