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Substance Name: 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride
RN: 58344-37-9
InChIKey: LIRPFNMYBZGASU-FXRZFVDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O.Cl-H

Molecular Weight

  • 225.7174
 
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Names and Synonyms

Synonyms

  • 1-(4-Pyridyl)-4,4-dimethylpent-1-en-3-one hydrochloride
  • 4,4-Dimethyl-1-(4-pyridinyl)-1-penten-3-one hydrochloride
  • D 648

Systematic Name

  • 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 58344-37-9

System Generated Number

  • 0058344379

Molecular Formulas

Molecular Formula

  • C12-H15-N-O.Cl-H

Molecular Formula Fragments

  • C12-H15-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15NO.ClH/c1-12(2,3)11(14)5-4-10-6-8-13-9-7-10;/h4-9H,1-3H3;1H/b5-4+;

InChIKey

LIRPFNMYBZGASU-FXRZFVDSSA-N

Smiles

CC(C)(C)C(=O)/C=C/c1ccncc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2253505,