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Substance Name: Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate
RN: 77711-55-8
InChIKey: RWOWDHGGFAHHJV-UHFFFAOYSA-N

Molecular Formula

  • C18-H22-N2-O-S.C2-H2-O4

Molecular Weight

  • 404.485
 
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Names and Synonyms

Synonym

  • 2-(Diethylamino)-4'-(phenylthio)-acetanilide oxalate

Systematic Name

  • Acetanilide, 2-(diethylamino)-4'-(phenylthio)-, oxalate

Registry Numbers

CAS Registry Number

  • 77711-55-8

System Generated Number

  • 0077711558

Molecular Formulas

Molecular Formula

  • C18-H22-N2-O-S.C2-H2-O4

Molecular Formula Fragments

  • C18-H22-N2-O-S
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22N2OS.C2H2O4/c1-3-20(4-2)14-18(21)19-15-10-12-17(13-11-15)22-16-8-6-5-7-9-16;3-1(4)2(5)6/h5-13H,3-4,14H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)

InChIKey

RWOWDHGGFAHHJV-UHFFFAOYSA-N

Smiles

c1(Sc2ccccc2)ccc(NC(C[NH+](CC)CC)=O)cc1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 275mg/kg (275mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 889, 1981.
mouse LD50 intravenous 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 889, 1981.