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Substance Name: 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(3,4-dimethoxyphenyl)ethenyl)-
RN: 116759-17-2
InChIKey: BKUCFGPQJKZBMH-ONNFQVAWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-Br-N-O4-S

Molecular Weight

  • 460.3462
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116759-17-2

System Generated Number

  • 0116759172

Structure Descriptors

InChI

1S/C21H18BrNO4S/c1-26-16-9-3-13(11-17(16)27-2)4-10-19-23-21(18(28-19)12-20(24)25)14-5-7-15(22)8-6-14/h3-11H,12H2,1-2H3,(H,24,25)/b10-4+

InChIKey

BKUCFGPQJKZBMH-ONNFQVAWSA-N

Smiles

COc1ccc(cc1OC)/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.