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Substance Name: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, octyl ester
RN: 101001-48-3
InChIKey: UJXUKIBMBOBGDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H36-N2-O4-S

Molecular Weight

  • 532.7014
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101001-48-3

System Generated Number

  • 0101001483

Structure Descriptors

InChI

1S/C31H36N2O4S/c1-4-5-6-7-8-9-21-37-28(34)22-33-20-10-11-27(33)31-32-29(23-12-16-25(35-2)17-13-23)30(38-31)24-14-18-26(36-3)19-15-24/h10-20H,4-9,21-22H2,1-3H3

InChIKey

UJXUKIBMBOBGDB-UHFFFAOYSA-N

Smiles

CCCCCCCCOC(=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,