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Substance Name: 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
RN: 116759-20-7
InChIKey: HAQVKZVBEXCOCI-RUDMXATFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-F-N-O5-S

Molecular Weight

  • 429.466
 
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Names and Synonyms

Synonym

  • 4-(4-Fluorophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-5-thiazoleacetic acid

Systematic Name

  • 5-Thiazoleacetic acid, 4-(4-fluorophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-

Registry Numbers

CAS Registry Number

  • 116759-20-7

System Generated Number

  • 0116759207

Structure Descriptors

InChI

1S/C22H20FNO5S/c1-27-16-10-13(11-17(28-2)22(16)29-3)4-9-19-24-21(18(30-19)12-20(25)26)14-5-7-15(23)8-6-14/h4-11H,12H2,1-3H3,(H,25,26)/b9-4+

InChIKey

HAQVKZVBEXCOCI-RUDMXATFSA-N

Smiles

COc1cc(cc(c1OC)OC)/C=C/c2nc(c(s2)CC(=O)O)c3ccc(cc3)F

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.