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Substance Name: Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-pyrimidyl)-, oxalate
RN: 63981-27-1
InChIKey: IUJVVFFFMCZPKL-UHFFFAOYSA-N

Molecular Formula

  • C25-H29-Cl-N4-O.C2-H2-O4

Molecular Weight

  • 527.018
 
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Names and Synonyms

Synonym

  • 1-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-(2-pyrimidyl)piperazine oxalate

Systematic Name

  • Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-pyrimidyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 63981-27-1

System Generated Number

  • 0063981271

Molecular Formulas

Molecular Formula

  • C25-H29-Cl-N4-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C25-H29-Cl-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C25H29ClN4O.C2H2O4/c26-23-11-9-22(10-12-23)24(21-7-2-1-3-8-21)31-20-5-4-15-29-16-18-30(19-17-29)25-27-13-6-14-28-25;3-1(4)2(5)6/h1-3,6-14,24H,4-5,15-20H2;(H,3,4)(H,5,6)

InChIKey

IUJVVFFFMCZPKL-UHFFFAOYSA-N

Smiles

c1(N2CCN(CCCCO[C@@H](c3ccc(Cl)cc3)c3ccccc3)CC2)ncccn1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.