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Substance Name: 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-fluorophenyl)-
RN: 116759-25-2
InChIKey: ZIZWMMWYQTZBNZ-KRXBUXKQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H14-F-N-O4-S

Molecular Weight

  • 383.3976
 
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Names and Synonyms

Synonym

  • 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-fluorophenyl)-5-thiazoleacetic acid

Systematic Name

  • 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 116759-25-2

System Generated Number

  • 0116759252

Structure Descriptors

InChI

1S/C20H14FNO4S/c21-14-5-3-13(4-6-14)20-17(10-19(23)24)27-18(22-20)8-2-12-1-7-15-16(9-12)26-11-25-15/h1-9H,10-11H2,(H,23,24)/b8-2+

InChIKey

ZIZWMMWYQTZBNZ-KRXBUXKQSA-N

Smiles

c1cc(ccc1c2c(sc(n2)/C=C/c3ccc4c(c3)OCO4)CC(=O)O)F

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.