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Substance Name: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, hexyl ester
RN: 101001-47-2
InChIKey: HQEUDJHYQKTTKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H32-N2-O4-S

Molecular Weight

  • 504.6478
 
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Names and Synonyms

Synonyms

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

Registry Numbers

CAS Registry Number

  • 101001-47-2

System Generated Number

  • 0101001472

Structure Descriptors

InChI

1S/C29H32N2O4S/c1-4-5-6-7-19-35-26(32)20-31-18-8-9-25(31)29-30-27(21-10-14-23(33-2)15-11-21)28(36-29)22-12-16-24(34-3)17-13-22/h8-18H,4-7,19-20H2,1-3H3

InChIKey

HQEUDJHYQKTTKG-UHFFFAOYSA-N

Smiles

CCCCCCOC(=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,