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Substance Name: 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-
RN: 62128-96-5
InChIKey: BXERGRXDZTVEOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-F2-N2-O-S

Molecular Weight

  • 270.3018
 
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Names and Synonyms

Synonyms

  • 2,3-Dimethyl-1-(m-(difluoromethylthio)phenyl)-3-pyrazolin-5-one
  • 5-24-01-00338 (Beilstein Handbook Reference)
  • BRN 0670129

Systematic Name

  • 3-Pyrazolin-5-one, 2,3-dimethyl-1-(m-(difluoromethylthio)phenyl)-

Registry Numbers

CAS Registry Number

  • 62128-96-5

System Generated Number

  • 0062128965

Structure Descriptors

InChI

1S/C12H12F2N2OS/c1-8-6-11(17)16(15(8)2)9-4-3-5-10(7-9)18-12(13)14/h3-7,12H,1-2H3

InChIKey

BXERGRXDZTVEOK-UHFFFAOYSA-N

Smiles

Cc1cc(=O)n(n1C)c2cccc(c2)SC(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 442mg/kg (442mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

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