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Substance Name: 5-Benzothiazoleacetic acid, 2-(p-cumenyl)-
RN: 36782-45-3
InChIKey: RBULJSNVVSSVKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O2-S

Molecular Weight

  • 311.403
 
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Names and Synonyms

Synonyms

  • 2-(p-Cumenyl)-5-benzothiazoleacetic acid
  • BRN 0808880

Systematic Name

  • 5-Benzothiazoleacetic acid, 2-(p-cumenyl)-

Registry Numbers

CAS Registry Number

  • 36782-45-3

System Generated Number

  • 0036782453

Structure Descriptors

InChI

1S/C18H17NO2S/c1-11(2)13-4-6-14(7-5-13)18-19-15-9-12(10-17(20)21)3-8-16(15)22-18/h3-9,11H,10H2,1-2H3,(H,20,21)

InChIKey

RBULJSNVVSSVKH-UHFFFAOYSA-N

Smiles

c12c(sc(n1)c1ccc(C(C)C)cc1)ccc(c2)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 930, 1973.