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Substance Name: Antipyrine, 4-(2-(p-hydroxybenzoyl)propenyl)-, hydrate
RN: 26405-20-9
InChIKey: AZEVJJYFBXSKRF-IERUDJENSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-N2-O3.H2-O

Molecular Weight

  • 366.415
 
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Names and Synonyms

Synonym

  • 4-(2-(p-Hydroxybenzoyl)propenyl)antipyrine hydrate

Systematic Name

  • Antipyrine, 4-(2-(p-hydroxybenzoyl)propenyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 26405-20-9

System Generated Number

  • 0026405209

Molecular Formulas

Molecular Formula

  • C21-H20-N2-O3.H2-O

Molecular Formula Fragments

  • C21-H20-N2-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H20N2O3.H2O/c1-14(20(25)16-9-11-18(24)12-10-16)13-19-15(2)22(3)23(21(19)26)17-7-5-4-6-8-17;/h4-13,24H,1-3H3;1H2/b14-13+;

InChIKey

AZEVJJYFBXSKRF-IERUDJENSA-N

Smiles

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