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Substance Name: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)-, dioxalate
RN: 23904-98-5
InChIKey: QPAXGZSTUKCJSK-UHFFFAOYSA-N

Molecular Formula

  • C22-H29-Cl-N2-O-S.2C2-H2-O4

Molecular Weight

  • 585.071
 
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Names and Synonyms

Synonym

  • 1-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)piperazine dioxalate

Systematic Name

  • Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)-, dioxalate

Registry Numbers

CAS Registry Number

  • 23904-98-5

System Generated Number

  • 0023904985

Molecular Formulas

Molecular Formula

  • C22-H29-Cl-N2-O-S.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H29-Cl-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29ClN2OS.2C2H2O4/c1-18(26)17-25-13-11-24(12-14-25)15-16-27-22(19-5-3-2-4-6-19)20-7-9-21(23)10-8-20;2*3-1(4)2(5)6/h2-10,18,22,26H,11-17H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

QPAXGZSTUKCJSK-UHFFFAOYSA-N

Smiles

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