Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Thiazoleacetic acid, 2-(2-(3,4-dimethoxyphenyl)ethenyl)-4-(4-fluorophenyl)-
RN: 116759-15-0
InChIKey: HIAQYWLYAACFFU-ONNFQVAWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H18-F-N-O4-S

Molecular Weight

  • 399.4402
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-(2-(3,4-Dimethoxyphenyl)ethenyl)-4-(4-fluorophenyl)-5-thiazoleacetic acid
  • RTECS XN2996000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116759-15-0

System Generated Number

  • 0116759150

Structure Descriptors

InChI

1S/C21H18FNO4S/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

HIAQYWLYAACFFU-ONNFQVAWSA-N

Smiles

COc1ccc(cc1OC)/C=C/c2nc(c(s2)CC(=O)O)c3ccc(cc3)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.