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Substance Name: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 2-propynyl ester
RN: 101001-50-7
InChIKey: IJPLCLPPWSWGNX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H22-N2-O4-S

Molecular Weight

  • 458.5358
 
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Names and Synonyms

Synonyms

  • 2-Propynyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
  • Propargyl 2-(4,5-bis(4-methoxyphenyl)thiazol-2-yl)pyrrole-1-acetate

Systematic Name

  • 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 2-propynyl ester

Registry Numbers

CAS Registry Number

  • 101001-50-7

System Generated Number

  • 0101001507

Structure Descriptors

InChI

1S/C26H22N2O4S/c1-4-16-32-23(29)17-28-15-5-6-22(28)26-27-24(18-7-11-20(30-2)12-8-18)25(33-26)19-9-13-21(31-3)14-10-19/h1,5-15H,16-17H2,2-3H3

InChIKey

IJPLCLPPWSWGNX-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)c2c(sc(n2)c3cccn3CC(=O)OCC#C)c4ccc(cc4)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4659726,