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Substance Name: Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-pyridyl)-, oxalate
RN: 23904-95-2
InChIKey: ZVXDRAAQBLMIFQ-UHFFFAOYSA-N

Molecular Formula

  • C26-H30-Cl-N3-O.C2-H2-O4

Molecular Weight

  • 526.03
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23904-95-2

System Generated Number

  • 0023904952

Molecular Formulas

Molecular Formula

  • C26-H30-Cl-N3-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H30-Cl-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C26H30ClN3O.C2H2O4/c27-24-13-11-23(12-14-24)26(22-8-2-1-3-9-22)31-21-7-6-16-29-17-19-30(20-18-29)25-10-4-5-15-28-25;3-1(4)2(5)6/h1-5,8-15,26H,6-7,16-21H2;(H,3,4)(H,5,6)

InChIKey

ZVXDRAAQBLMIFQ-UHFFFAOYSA-N

Smiles

N1(c2ccccn2)CCN(CCCCO[C@@H](c2ccc(cc2)Cl)c2ccccc2)CC1.OC(C(O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.