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Substance Name: Antipyrine, 4-(2-(p-(phenylthio)benzoyl)vinyl)-
RN: 24428-78-2
InChIKey: ZUPIYKXCSQKIJK-ISLYRVAYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H22-N2-O2-S

Molecular Weight

  • 426.538
 
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Names and Synonyms

Synonyms

  • 4-(2-(p-(Phenylthio)benzoyl)vinyl)antipyrine
  • 5-25-03-00142 (Beilstein Handbook Reference)
  • BRN 0855586

Systematic Name

  • Antipyrine, 4-(2-(p-(phenylthio)benzoyl)vinyl)-

Registry Numbers

CAS Registry Number

  • 24428-78-2

System Generated Number

  • 0024428782

Structure Descriptors

InChI

1S/C26H22N2O2S/c1-19-24(26(30)28(27(19)2)21-9-5-3-6-10-21)17-18-25(29)20-13-15-23(16-14-20)31-22-11-7-4-8-12-22/h3-18H,1-2H3/b18-17+

InChIKey

ZUPIYKXCSQKIJK-ISLYRVAYSA-N

Smiles

n1(c2ccccc2)c(c(\C=C\C(c2ccc(Sc3ccccc3)cc2)=O)c(n1C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 2020, 1969.