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Substance Name: 5-Benzothiazoleacetic acid, 2-phenyl-, ethyl ester
RN: 49702-16-1
InChIKey: KDOPUKOTJDLFQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N-O2-S

Molecular Weight

  • 297.376
 
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Names and Synonyms

Synonyms

  • BRN 1005503
  • Ethyl 2-phenyl-5-benzothiazoleacetate

Systematic Name

  • 5-Benzothiazoleacetic acid, 2-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 49702-16-1

System Generated Number

  • 0049702161

Structure Descriptors

InChI

1S/C17H15NO2S/c1-2-20-16(19)11-12-8-9-15-14(10-12)18-17(21-15)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3

InChIKey

KDOPUKOTJDLFQA-UHFFFAOYSA-N

Smiles

c12c(nc(s1)c1ccccc1)cc(CC(OCC)=O)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 930, 1973.