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Substance Name: 1-Piperazineacetamide, N,4-dimethyl-N-(p-(phenylthio)phenyl)-, dioxalate
RN: 77711-51-4
InChIKey: GEQJUFQFCYJXOV-UHFFFAOYSA-N

Molecular Formula

  • C20-H25-N3-O-S.2C2-H2-O4

Molecular Weight

  • 535.5711
 
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Names and Synonyms

Synonym

  • N,4-Dimethyl-N-(p-(phenylthio)phenyl)-1-piperazineacetamide dioxalate

Systematic Name

  • 1-Piperazineacetamide, N,4-dimethyl-N-(p-(phenylthio)phenyl)-, dioxalate

Registry Numbers

CAS Registry Number

  • 77711-51-4

System Generated Number

  • 0077711514

Molecular Formulas

Molecular Formula

  • C20-H25-N3-O-S.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H25-N3-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25N3OS.2C2H2O4/c1-23(2,14-12-22(13-15-23)16-20(21)24)17-8-10-19(11-9-17)25-18-6-4-3-5-7-18;2*3-1(4)2(5)6/h3-12,14H,13,15-16H2,1-2H3,(H2,21,24);2*(H,3,4)(H,5,6)

InChIKey

GEQJUFQFCYJXOV-UHFFFAOYSA-N

Smiles

CN1(CCN(C=C1)CC(=O)N)(C)c2ccc(cc2)Sc3ccccc3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 889, 1981.