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Substance Name: 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-
RN: 62128-99-8
InChIKey: YNMUYTYHOAYWBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-F2-N2-O3-S

Molecular Weight

  • 302.2998
 
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Names and Synonyms

Synonyms

  • 2,3-Dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-3-pyrozolin-5-one
  • 5-24-01-00338 (Beilstein Handbook Reference)
  • BRN 0692372

Systematic Name

  • 3-Pyrazolin-5-one, 2,3-dimethyl-1-(p-(difluoromethylsulfonyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 62128-99-8

System Generated Number

  • 0062128998

Structure Descriptors

InChI

1S/C12H12F2N2O3S/c1-8-7-11(17)16(15(8)2)9-3-5-10(6-4-9)20(18,19)12(13)14/h3-7,12H,1-2H3

InChIKey

YNMUYTYHOAYWBP-UHFFFAOYSA-N

Smiles

Cc1cc(=O)n(n1C)c2ccc(cc2)S(=O)(=O)C(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 413mg/kg (413mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS
Pharmaceutical Chemistry Journal Vol. 10, Pg. 1605, 1976.