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Substance Name: 2-Propanol, 1-((1-phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-
RN: 133506-52-2
InChIKey: RWJHEZUBKOGDGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-F3-N5-O-S

Molecular Weight

  • 395.4074
 
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Names and Synonyms

Synonym

  • 1-((1-Phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-2-propanol

Systematic Name

  • 2-Propanol, 1-((1-phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluoromethyl)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 133506-52-2

System Generated Number

  • 0133506522

Structure Descriptors

InChI

1S/C17H16F3N5OS/c18-17(19,20)12-5-4-6-13(9-12)21-10-15(26)11-27-16-22-23-24-25(16)14-7-2-1-3-8-14/h1-9,15,21,26H,10-11H2

InChIKey

RWJHEZUBKOGDGC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2c(nnn2)SCC(CNc3cccc(c3)C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Cesko-Slovenska Farmacie. Vol. 39, Pg. 294, 1990.