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Substance Name: 1-Pyrrolidineacetamide, N-methyl-N-(p-(phenylthio)phenyl)-, oxalate
RN: 77711-45-6
InChIKey: VWRXCXMCZNKWDL-UHFFFAOYSA-N

Molecular Formula

  • C19-H22-N2-O-S.C2-H2-O4

Molecular Weight

  • 416.4956
 
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Names and Synonyms

Synonym

  • N-Methyl-N-(p-(phenylthio)phenyl)-1-pyrrolidineacetamide oxalate

Systematic Name

  • 1-Pyrrolidineacetamide, N-methyl-N-(p-(phenylthio)phenyl)-, oxalate

Registry Numbers

CAS Registry Number

  • 77711-45-6

System Generated Number

  • 0077711456

Molecular Formulas

Molecular Formula

  • C19-H22-N2-O-S.C2-H2-O4

Molecular Formula Fragments

  • C19-H22-N2-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2OS.C2H2O4/c1-20(19(22)15-21-13-5-6-14-21)16-9-11-18(12-10-16)23-17-7-3-2-4-8-17;3-1(4)2(5)6/h2-4,7-12H,5-6,13-15H2,1H3;(H,3,4)(H,5,6)

InChIKey

VWRXCXMCZNKWDL-UHFFFAOYSA-N

Smiles

CN(c1ccc(cc1)Sc2ccccc2)C(=O)CN3CCCC3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 889, 1981.