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Substance Name: 3-Acetyl-2,4,5-trimethylpyrrole
RN: 19005-95-9
UNII: W5UKK6E72S
InChIKey: XVBRWTVSTZYJIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N-O

Molecular Weight

  • 151.208
 
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Names and Synonyms

Name of Substance

  • 3-Acetyl-2,4,5-trimethylpyrrole

Synonyms

  • 3-Acetyl-2,4,5-trimethyl-pyrrole
  • 5-21-07-00249 (Beilstein Handbook Reference)
  • BRN 0112922
  • Methyl 2,4,5-trimethylpyrrol-3-yl ketone
  • UNII-W5UKK6E72S

Systematic Name

  • Ketone, methyl 2,4,5-trimethylpyrrol-3-yl

Registry Numbers

CAS Registry Number

  • 19005-95-9

FDA UNII

  • W5UKK6E72S

System Generated Number

  • 0019005959

Structure Descriptors

InChI

1S/C9H13NO/c1-5-6(2)10-7(3)9(5)8(4)11/h10H,1-4H3

InChIKey

XVBRWTVSTZYJIB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 233mg/kg (233mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.