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Substance Name: 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-phenyl-
RN: 116759-14-9
InChIKey: ORUILTIMKGCFCE-PKNBQFBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N-O4-S

Molecular Weight

  • 381.4501
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116759-14-9

System Generated Number

  • 0116759149

Structure Descriptors

InChI

1S/C21H19NO4S/c1-25-16-10-8-14(12-17(16)26-2)9-11-19-22-21(15-6-4-3-5-7-15)18(27-19)13-20(23)24/h3-12H,13H2,1-2H3,(H,23,24)/b11-9+

InChIKey

ORUILTIMKGCFCE-PKNBQFBNSA-N

Smiles

COc1ccc(cc1OC)/C=C/c2nc(c(s2)CC(=O)O)c3ccccc3

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.