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Substance Name: 5-Thiazoleacetic acid, 4-phenyl-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
RN: 116759-19-4
InChIKey: GQQLUKIAJVSQJJ-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-O5-S

Molecular Weight

  • 411.4759
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116759-19-4

System Generated Number

  • 0116759194

Structure Descriptors

InChI

1S/C22H21NO5S/c1-26-16-11-14(12-17(27-2)22(16)28-3)9-10-19-23-21(15-7-5-4-6-8-15)18(29-19)13-20(24)25/h4-12H,13H2,1-3H3,(H,24,25)/b10-9+

InChIKey

GQQLUKIAJVSQJJ-MDZDMXLPSA-N

Smiles

COc1cc(cc(c1OC)OC)/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.