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Substance Name: 5-Thiazoleacetic acid, 2-(2-(4-bromophenyl)ethenyl)-4-(4-methylphenyl)-
RN: 116758-98-6
InChIKey: CHUBEWNHLVUNPR-IZZDOVSWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-Br-N-O2-S

Molecular Weight

  • 414.3214
 
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Names and Synonyms

Synonym

  • 2-(2-(4-Bromophenyl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116758-98-6

System Generated Number

  • 0116758986

Structure Descriptors

InChI

1S/C20H16BrNO2S/c1-13-2-7-15(8-3-13)20-17(12-19(23)24)25-18(22-20)11-6-14-4-9-16(21)10-5-14/h2-11H,12H2,1H3,(H,23,24)/b11-6+

InChIKey

CHUBEWNHLVUNPR-IZZDOVSWSA-N

Smiles

Cc1ccc(cc1)c2c(sc(n2)/C=C/c3ccc(cc3)Br)CC(=O)O

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.