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Substance Name: 5-Thiazoleacetic acid, 2-(2-(4-methoxyphenyl)ethenyl)-4-(4-methylphenyl)-
RN: 116759-13-8
InChIKey: FFYFHTQFCNTHIE-KPKJPENVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N-O3-S

Molecular Weight

  • 365.4511
 
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Names and Synonyms

Synonym

  • 2-(2-(4-Methoxyphenyl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116759-13-8

System Generated Number

  • 0116759138

Structure Descriptors

InChI

1S/C21H19NO3S/c1-14-3-8-16(9-4-14)21-18(13-20(23)24)26-19(22-21)12-7-15-5-10-17(25-2)11-6-15/h3-12H,13H2,1-2H3,(H,23,24)/b12-7+

InChIKey

FFYFHTQFCNTHIE-KPKJPENVSA-N

Smiles

Cc1ccc(cc1)c2c(sc(n2)/C=C/c3ccc(cc3)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.