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Substance Name: Acetanilide, 2-(diethylamino)-N-methyl-4'-(phenylthio)-, oxalate, hydrate (4:4:1)
RN: 77711-43-4
InChIKey: YYFHYJFOVTXDLA-UHFFFAOYSA-N

Molecular Formula

  • C19-H24-N2-O-S.C2-H2-O4.1/4H2-O

Molecular Weight

  • 418.5114
 
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Names and Synonyms

Synonym

  • 2-(Diethylamino)-N-methyl-4'-(phenylthio)acetanilide oxalate hydrate (4:4:1)

Systematic Name

  • Acetanilide, 2-(diethylamino)-N-methyl-4'-(phenylthio)-, oxalate, hydrate (4:4:1)

Registry Numbers

CAS Registry Number

  • 77711-43-4

System Generated Number

  • 0077711434

Molecular Formulas

Molecular Formula

  • C19-H24-N2-O-S.C2-H2-O4.1/4H2-O

Molecular Formula Fragments

  • C19-H24-N2-O-S
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H24N2OS.C2H2O4/c1-4-21(5-2)15-19(22)20(3)16-11-13-18(14-12-16)23-17-9-7-6-8-10-17;3-1(4)2(5)6/h6-14H,4-5,15H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

YYFHYJFOVTXDLA-UHFFFAOYSA-N

Smiles

CCN(CC)CC(=O)N(C)c1ccc(cc1)Sc2ccccc2.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 889, 1981.
mouse LD50 intravenous 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 889, 1981.