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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-
RN: 42780-15-4
InChIKey: YXZHLIXFFCRSIZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-N-O3

Molecular Weight

  • 315.41
 
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Names and Synonyms

Synonyms

  • 2,5-Dimethyl-1-(4-(3-methylbutoxy)phenyl)-1H-pyrrole-3-acetic acid
  • BRN 0428918

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 42780-15-4

System Generated Number

  • 0042780154

Structure Descriptors

InChI

1S/C19H25NO3/c1-13(2)9-10-23-18-7-5-17(6-8-18)20-14(3)11-16(15(20)4)12-19(21)22/h5-8,11,13H,9-10,12H2,1-4H3,(H,21,22)

InChIKey

YXZHLIXFFCRSIZ-UHFFFAOYSA-N

Smiles

n1(c(c(cc1C)CC(=O)O)C)c1ccc(cc1)OCCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.