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Substance Name: 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-
RN: 116834-18-5
InChIKey: YZWFZNNUMUVXPL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-Cl-N3-O2

Molecular Weight

  • 301.7318
 
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Names and Synonyms

Synonym

  • 1-(4-Chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid

Systematic Name

  • 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-

Registry Numbers

CAS Registry Number

  • 116834-18-5

System Generated Number

  • 0116834185

Structure Descriptors

InChI

1S/C15H12ClN3O2/c16-12-3-5-13(6-4-12)19-15(18-7-1-2-8-18)11(10-17-19)9-14(20)21/h1-8,10H,9H2,(H,20,21)

InChIKey

YZWFZNNUMUVXPL-UHFFFAOYSA-N

Smiles

c1ccn(c1)c2c(cnn2c3ccc(cc3)Cl)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 251, 1988.