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Substance Name: 1H-Pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 2,2-dimethylpropyl ester
RN: 101001-42-7
InChIKey: AOQXGDPTBHLLOW-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

  • 2,2-Dimethylpropyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1H-pyrrole-1-acetate
  • Neopentyl 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)-, 2,2-dimethylpropyl ester

Registry Numbers

CAS Registry Number

  • 101001-42-7

System Generated Number

  • 0101001427

Structure Descriptors

InChI

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

InChIKey

AOQXGDPTBHLLOW-UHFFFAOYSA-N

Smiles

CC(C)(C)COC(=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,