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Substance Name: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 3-methylbutyl ester
RN: 101001-41-6
InChIKey: XIADGJCVEGDIKD-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

  • 3-Methylbutyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
  • Isopentyl 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)-, 3-methylbutyl ester

Registry Numbers

CAS Registry Number

  • 101001-41-6

System Generated Number

  • 0101001416

Structure Descriptors

InChI

1S/C28H30N2O4S/c1-19(2)15-17-34-25(31)18-30-16-5-6-24(30)28-29-26(20-7-11-22(32-3)12-8-20)27(35-28)21-9-13-23(33-4)14-10-21/h5-14,16,19H,15,17-18H2,1-4H3

InChIKey

XIADGJCVEGDIKD-UHFFFAOYSA-N

Smiles

CC(C)CCOC(=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,