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Substance Name: 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-(4-methylphenyl)-
RN: 116759-18-3
InChIKey: COBAULFRMHDYKV-YRNVUSSQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-O4-S

Molecular Weight

  • 395.4769
 
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Names and Synonyms

Synonym

  • 2-(2-(3,4-Dimethoxyphenyl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

Systematic Name

  • 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 116759-18-3

System Generated Number

  • 0116759183

Structure Descriptors

InChI

1S/C22H21NO4S/c1-14-4-8-16(9-5-14)22-19(13-21(24)25)28-20(23-22)11-7-15-6-10-17(26-2)18(12-15)27-3/h4-12H,13H2,1-3H3,(H,24,25)/b11-7+

InChIKey

COBAULFRMHDYKV-YRNVUSSQSA-N

Smiles

Cc1ccc(cc1)c2c(sc(n2)/C=C/c3ccc(c(c3)OC)OC)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.