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Substance Name: 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-
RN: 116759-28-5
InChIKey: CTEXTBZLVSNQAM-WEVVVXLNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-N-O4-S

Molecular Weight

  • 379.4343
 
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Names and Synonyms

Synonym

  • 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

Systematic Name

  • 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 116759-28-5

System Generated Number

  • 0116759285

Structure Descriptors

InChI

1S/C21H17NO4S/c1-13-2-6-15(7-3-13)21-18(11-20(23)24)27-19(22-21)9-5-14-4-8-16-17(10-14)26-12-25-16/h2-10H,11-12H2,1H3,(H,23,24)/b9-5+

InChIKey

CTEXTBZLVSNQAM-WEVVVXLNSA-N

Smiles

Cc1ccc(cc1)c2c(sc(n2)/C=C/c3ccc4c(c3)OCO4)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 905, 1987.
mouse LD oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 905, 1987.