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Substance Name: Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-phenyl-, oxalate
RN: 23904-89-4
InChIKey: ZORLWJOAAFWPRX-UHFFFAOYSA-N

Molecular Formula

  • C27-H31-Cl-N2-O.C2-H2-O4

Molecular Weight

  • 525.042
 
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Names and Synonyms

Synonym

  • 1-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-phenylpiperazine oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23904-89-4

System Generated Number

  • 0023904894

Molecular Formulas

Molecular Formula

  • C27-H31-Cl-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H31-Cl-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31ClN2O.C2H2O4/c28-25-15-13-24(14-16-25)27(23-9-3-1-4-10-23)31-22-8-7-17-29-18-20-30(21-19-29)26-11-5-2-6-12-26;3-1(4)2(5)6/h1-6,9-16,27H,7-8,17-22H2;(H,3,4)(H,5,6)

InChIKey

ZORLWJOAAFWPRX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.