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Substance Name: Ethanone, 1-(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-, monohydrochloride
RN: 59133-39-0
InChIKey: KGEVRRIKSHIGCE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O.Cl-H

Molecular Weight

  • 250.727
 
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Names and Synonyms

Synonyms

  • 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone hydrochloride
  • Ketone, (4-amino-2-methyl-5-phenylpyrrol-3-yl) methyl, monohydrochloride

Systematic Name

  • Ethanone, 1-(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 59133-39-0

System Generated Number

  • 0059133390

Molecular Formulas

Molecular Formula

  • C13-H14-N2-O.Cl-H

Molecular Formula Fragments

  • C13-H14-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14N2O.ClH/c1-8-11(9(2)16)12(14)13(15-8)10-6-4-3-5-7-10;/h3-7,15H,14H2,1-2H3;1H

InChIKey

KGEVRRIKSHIGCE-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)c(c(C(C)=O)c([nH]1)C)[NH2+].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 39, Pg. 538, 1984.