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Substance Name: Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-2-acetyl-3-(3-(trifluoromethyl)phenyl)-7-((3-(trifluoromethyl)phenyl)methylene)-, 5,5-dioxide, (3-alpha,3a-alpha,7Z)-
RN: 83376-85-6
InChIKey: YHPKKYOZVPRNAI-CXUHLZMHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H18-F6-N2-O3-S

Molecular Weight

  • 516.4602
 
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Names and Synonyms

  • Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-2-acetyl-3-(3-(trifluoromethyl)phenyl)-7-((3-(trifluoromethyl)phenyl)methylene)-, 5,5-dioxide, (3-alpha,3a-alpha,7Z)-

Registry Numbers

CAS Registry Number

  • 83376-85-6

System Generated Number

  • 0083376856

Structure Descriptors

InChI

1S/C23H18F6N2O3S/c1-13(32)31-21(15-6-4-7-17(10-15)22(24,25)26)18-12-35(33,34)11-16(20(18)30-31)9-14-5-2-3-8-19(14)23(27,28)29/h2-10,18,21H,11-12H2,1H3/b16-9+

InChIKey

YHPKKYOZVPRNAI-CXUHLZMHSA-N

Smiles

CC(=O)N1C(C2CS(=O)(=O)C/C(=C\c3ccccc3C(F)(F)F)/C2=N1)c4cccc(c4)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 7200mg/kg (7200mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 1482, 1982.