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Substance Name: Piperazine, 1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(m-tolyl)-, oxalate
RN: 23904-94-1
InChIKey: OMWNBRFCWBLPRG-UHFFFAOYSA-N

Molecular Formula

  • C28-H33-Cl-N2-O.C2-H2-O4

Molecular Weight

  • 539.068
 
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Names and Synonyms

Synonym

  • 1-(4-(alpha-(p-Chlorophenyl)benzyloxy)butyl)-4-(m-tolyl)piperazine oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23904-94-1

System Generated Number

  • 0023904941

Molecular Formulas

Molecular Formula

  • C28-H33-Cl-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C28-H33-Cl-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C28H33ClN2O.C2H2O4/c1-23-8-7-11-27(22-23)31-19-17-30(18-20-31)16-5-6-21-32-28(24-9-3-2-4-10-24)25-12-14-26(29)15-13-25;3-1(4)2(5)6/h2-4,7-15,22,28H,5-6,16-21H2,1H3;(H,3,4)(H,5,6)

InChIKey

OMWNBRFCWBLPRG-UHFFFAOYSA-N

Smiles

N1(c2cccc(C)c2)CCN(CCCCO[C@@H](c2ccc(Cl)cc2)c2ccccc2)CC1.OC(C(O)=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.