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Substance Name: 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-, sodium salt
RN: 33695-01-1
InChIKey: IBUNYFVAFLDFHC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-N-O2-S.Na

Molecular Weight

  • 281.31
 
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Names and Synonyms

Synonyms

  • Phenyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole sel de sodium
  • Phenyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole sel de sodium [French]
  • Sodium 2-phenyl-4,5,6,7-tetrahydro-4-benzothiazolecarboxylate

Systematic Name

  • 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 33695-01-1

System Generated Number

  • 0033695011

Molecular Formulas

Molecular Formula

  • C14-H12-N-O2-S.Na

Molecular Formula Fragments

  • C14-H12-N-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H13NO2S.Na/c16-14(17)10-7-4-8-11-12(10)15-13(18-11)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,16,17);/q;+1/p-1

InChIKey

IBUNYFVAFLDFHC-UHFFFAOYSA-M

Smiles

[Na+].s1c(nc2c1CCC[C@@H]2C(=O)[O-])c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 202mg/kg (202mg/kg)   French Demande Patent Document. Vol. #2035757,