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Substance Name: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 1-methylbutyl ester
RN: 101001-44-9
InChIKey: ZUMFGPKCIMHDRI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-N2-O4-S

Molecular Weight

  • 490.621
 
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Names and Synonyms

Synonyms

  • 1-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
  • 2-Pentyl 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)-, 1-methylbutyl ester

Registry Numbers

CAS Registry Number

  • 101001-44-9

System Generated Number

  • 0101001449

Structure Descriptors

InChI

1S/C28H30N2O4S/c1-5-7-19(2)34-25(31)18-30-17-6-8-24(30)28-29-26(20-9-13-22(32-3)14-10-20)27(35-28)21-11-15-23(33-4)16-12-21/h6,8-17,19H,5,7,18H2,1-4H3

InChIKey

ZUMFGPKCIMHDRI-UHFFFAOYSA-N

Smiles

CCCC(C)OC(=O)Cn1cccc1c2nc(c(s2)c3ccc(cc3)OC)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,