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Substance Name: Pyrrole-3-carboxylic acid, 5-acetyl-2,4-dimethyl-, ethyl ester
RN: 6314-22-3
InChIKey: ZCNAULQFSXEJTD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-N-O3

Molecular Weight

  • 209.243
 
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Names and Synonyms

Synonyms

  • 4-22-00-03003 (Beilstein Handbook Reference)
  • 5-Acetyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester
  • BRN 0160846
  • NSC 40232
  • NSC 63924

Systematic Name

  • Pyrrole-3-carboxylic acid, 5-acetyl-2,4-dimethyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 6314-22-3

System Generated Number

  • 0006314223

Structure Descriptors

InChI

1S/C11H15NO3/c1-5-15-11(14)9-6(2)10(8(4)13)12-7(9)3/h12H,5H2,1-4H3

InChIKey

ZCNAULQFSXEJTD-UHFFFAOYSA-N

Smiles

c1(c(c(C(C)=O)[nH]c1C)C)C(OCC)=O

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.