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Substance Name: 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
RN: 116759-22-9
InChIKey: VEAGIVHULRHJTI-RUDMXATFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-Br-N-O5-S

Molecular Weight

  • 490.372
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116759-22-9

System Generated Number

  • 0116759229

Structure Descriptors

InChI

1S/C22H20BrNO5S/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

VEAGIVHULRHJTI-RUDMXATFSA-N

Smiles

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

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.