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Substance Name: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(p-methoxyphenyl)-, oxalate
RN: 23905-02-4
InChIKey: SSTHVNOXAXPPCJ-UHFFFAOYSA-N

Molecular Formula

  • C26-H29-Cl-N2-O-S.C2-H2-O4

Molecular Weight

  • 543.081
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23905-02-4

System Generated Number

  • 0023905024

Molecular Formulas

Molecular Formula

  • C26-H29-Cl-N2-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H29-Cl-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29ClN2OS.C2H2O4/c1-30-25-13-11-24(12-14-25)29-17-15-28(16-18-29)19-20-31-26(21-5-3-2-4-6-21)22-7-9-23(27)10-8-22;3-1(4)2(5)6/h2-14,26H,15-20H2,1H3;(H,3,4)(H,5,6)

InChIKey

SSTHVNOXAXPPCJ-UHFFFAOYSA-N

Smiles

N1(c2ccc(OC)cc2)CCN(CCS[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 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 860, 1969.