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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(2-pyridinyl)-, compd. with 2-aminoethanol (1:1)
RN: 60352-42-3
InChIKey: TWJTZPBRFZKIOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O2.C2-H7-N-O

Molecular Weight

  • 291.3489
 
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Names and Synonyms

Synonym

  • 2,5-Dimethyl-1-(2-pyridinyl)-1H-pyrrole-3-acetic acid compd. with 2-aminoethanol (1:1)

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(2-pyridinyl)-, compd. with 2-aminoethanol (1:1)

Registry Numbers

CAS Registry Number

  • 60352-42-3

System Generated Number

  • 0060352423

Molecular Formulas

Molecular Formula

  • C13-H14-N2-O2.C2-H7-N-O

Molecular Formula Fragments

  • C13-H14-N2-O2
  • C2-H7-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14N2O2.C2H7NO/c1-9-7-11(8-13(16)17)10(2)15(9)12-5-3-4-6-14-12;3-1-2-4/h3-7H,8H2,1-2H3,(H,16,17);4H,1-3H2

InChIKey

TWJTZPBRFZKIOE-UHFFFAOYSA-N

Smiles

Cc1cc(c(n1c2ccccn2)C)CC(=O)O.C(CO)N

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.