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Substance Name: 4-Pentyn-2-one, 3-hydroxy-3-methyl-5-phenyl-, oxime
RN: 718-21-8
InChIKey: OOBRKYBQULLXGD-JLHYYAGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O2

Molecular Weight

  • 203.24
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-3-methyl-5-phenyl-4-pentyn-2-one oxime
  • BRN 3032386
  • Ossima del 5-fenil-3-metilbutin-4-ol-3-one-2
  • Ossima del 5-fenil-3-metilbutin-4-ol-3-one-2 [Italian]
  • Oxime of 5-phenyl-3-methylbutyne-4-ol-3-one-2

Systematic Name

  • 4-Pentyn-2-one, 3-hydroxy-3-methyl-5-phenyl-, oxime

Registry Numbers

CAS Registry Number

  • 718-21-8

System Generated Number

  • 0000718218

Structure Descriptors

InChI

1S/C12H13NO2/c1-10(13-15)12(2,14)9-8-11-6-4-3-5-7-11/h3-7,14-15H,1-2H3/b13-10+

InChIKey

OOBRKYBQULLXGD-JLHYYAGUSA-N

Smiles

c1(ccccc1)C#C[C@@](O)(\C(C)=N\O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1750mg/kg (1750mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Farmaco, Edizione Scientifica. Vol. 20, Pg. 336, 1965.
rat LD50 oral 3125mg/kg (3125mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Farmaco, Edizione Scientifica. Vol. 20, Pg. 336, 1965.