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Substance Name: Lonazolac calcium salt
RN: 75821-71-5
UNII: 0H73O2AC36
InChIKey: CAQGVXNKMLYRMF-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-Cl-N2-O2.1/2Ca

Molecular Weight

  • 663.5716
 
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Names and Synonyms

Name of Substance

  • Lonazolac calcium salt

Synonyms

  • 3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-acetic acid calcium slat (2:1)
  • 3-(4-Clorofenil)-1-fenil-1H-pirazol-4-acetico acido, sel calcica
  • 3-(4-Clorofenil)-1-fenil-1H-pirazol-4-acetico acido, sel calcica [Spanish]
  • 3-(p-Chlorophenyl)-1-phenylpyrazole-4-acetic acid calcium salt (2:1)
  • Calcium 3-(4-chlorophenyl)-1-phenylpyrazole-4-acetate
  • EINECS 278-322-8
  • Irritren
  • Lonazolac calcium
  • Lonazolaco calcico
  • Lonazolaco calcico [Spanish]
  • UNII-0H73O2AC36

Systematic Names

  • 1H-Pyrazole-4-acetic acid, 3-(4-chlorophenyl)-1-phenyl-, calcium salt (2:1)
  • Calcium bis(3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-acetate)

Registry Numbers

CAS Registry Number

  • 75821-71-5

FDA UNII

  • 0H73O2AC36

Related Registry Number

  • 53808-88-1 (Parent)

System Generated Number

  • 0075821715

Molecular Formulas

Molecular Formula

  • C17-H13-Cl-N2-O2.1/2Ca

Molecular Formula Fragments

  • C17-H13-Cl-N2-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H13ClN2O2.Ca/c2*18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15;/h2*1-9,11H,10H2,(H,21,22);/q;;+2/p-2

InChIKey

CAQGVXNKMLYRMF-UHFFFAOYSA-L

Smiles

[Ca+2].[O-]C(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3.[O-]C(=O)Cc4cn(nc4c5ccc(Cl)cc5)c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 790mg/kg (790mg/kg)   Medicamentos de Actualidad. Vol. 18, Pg. 180, 1982.
mouse LD50 oral 670mg/kg (670mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 655, 1981.
rabbit LD50 oral 650mg/kg (650mg/kg)   Medicamentos de Actualidad. Vol. 18, Pg. 180, 1982.
rat LD50 oral 845mg/kg (845mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 31, Pg. 655, 1981.