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Substance Name: 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-
RN: 33695-11-3
InChIKey: HBIJCIREKLMXBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-F3-N-O2-S

Molecular Weight

  • 327.325
 
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Names and Synonyms

Synonyms

  • (m-Trifluoromethyl-phenyl)-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole
  • (m-Trifluoromethyl-phenyl)-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole [French]
  • 4,5,6,7-Tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-benzothiazolecarboxylic acid
  • BRN 1028300

Systematic Name

  • 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-

Registry Numbers

CAS Registry Number

  • 33695-11-3

System Generated Number

  • 0033695113

Structure Descriptors

InChI

1S/C15H12F3NO2S/c16-15(17,18)9-4-1-3-8(7-9)13-19-12-10(14(20)21)5-2-6-11(12)22-13/h1,3-4,7,10H,2,5-6H2,(H,20,21)

InChIKey

HBIJCIREKLMXBY-UHFFFAOYSA-N

Smiles

s1c(nc2c1CCC[C@@H]2C(=O)O)c1cc(ccc1)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 435mg/kg (435mg/kg)   French Demande Patent Document. Vol. #2035757,