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Substance Name: 5-Thiazoleacetic acid, 2-(2-(4-bromophenyl)ethenyl)-4-(4-chlorophenyl)-
RN: 116758-96-4
InChIKey: CRXQJQSYFMXSMG-XCVCLJGOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H13-Br-Cl-N-O2-S

Molecular Weight

  • 434.7397
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116758-96-4

System Generated Number

  • 0116758964

Structure Descriptors

InChI

1S/C19H13BrClNO2S/c20-14-6-1-12(2-7-14)3-10-17-22-19(16(25-17)11-18(23)24)13-4-8-15(21)9-5-13/h1-10H,11H2,(H,23,24)/b10-3+

InChIKey

CRXQJQSYFMXSMG-XCVCLJGOSA-N

Smiles

c1cc(ccc1/C=C/c2nc(c(s2)CC(=O)O)c3ccc(cc3)Cl)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.