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Substance Name: Pyrrole-2-acetic acid, 5-phenyl-
RN: 5449-90-1
InChIKey: XQJSJRJYORMNQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-N-O2

Molecular Weight

  • 201.224
 
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Names and Synonyms

Synonyms

  • 4-22-00-01227 (Beilstein Handbook Reference)
  • 5-Phenyl-pyrrole-2-acetic acid
  • BRN 0157785
  • NSC 16451

Systematic Name

  • Pyrrole-2-acetic acid, 5-phenyl-

Registry Numbers

CAS Registry Number

  • 5449-90-1

System Generated Number

  • 0005449901

Structure Descriptors

InChI

1S/C12H11NO2/c14-12(15)8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7,13H,8H2,(H,14,15)

InChIKey

XQJSJRJYORMNQE-UHFFFAOYSA-N

Smiles

[nH]1c(ccc1CC(=O)O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.