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Substance Name: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, butyl ester
RN: 101001-37-0
InChIKey: MKUMYGVCZPNVMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H28-N2-O4-S

Molecular Weight

  • 476.5942
 
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Names and Synonyms

Synonyms

  • Butyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
  • n-Butyl 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)-, butyl ester

Registry Numbers

CAS Registry Number

  • 101001-37-0

System Generated Number

  • 0101001370

Structure Descriptors

InChI

1S/C27H28N2O4S/c1-4-5-17-33-24(30)18-29-16-6-7-23(29)27-28-25(19-8-12-21(31-2)13-9-19)26(34-27)20-10-14-22(32-3)15-11-20/h6-16H,4-5,17-18H2,1-3H3

InChIKey

MKUMYGVCZPNVMW-UHFFFAOYSA-N

Smiles

CCCCOC(=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,