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Substance Name: Benzoic acid, 2-((2-hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)-
RN: 133506-53-3
InChIKey: IBVUXVDLWICEKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N5-O3-S

Molecular Weight

  • 371.4193
 
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Names and Synonyms

Synonym

  • 2-((2-Hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)benzoic acid

Systematic Name

  • Benzoic acid, 2-((2-hydroxy-3-((1-phenyl-1H-tetrazol-5-yl)thio)propyl)amino)-

Registry Numbers

CAS Registry Number

  • 133506-53-3

System Generated Number

  • 0133506533

Structure Descriptors

InChI

1S/C17H17N5O3S/c23-13(10-18-15-9-5-4-8-14(15)16(24)25)11-26-17-19-20-21-22(17)12-6-2-1-3-7-12/h1-9,13,18,23H,10-11H2,(H,24,25)

InChIKey

IBVUXVDLWICEKG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2c(nnn2)SCC(CNc3ccccc3C(=O)O)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.