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Substance Name: 4-Pentynophenone, 2-phenyl-
RN: 38940-37-3
InChIKey: XMRCGIXNEFRKLH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-O

Molecular Weight

  • 234.2966
 
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Names and Synonyms

Synonyms

  • 2-Phenylpentynophenone
  • Benzoin, deoxy-alpha-(2-propynyl)-
  • BRN 2272444
  • Deoxy(2-propynyl)benzoin

Systematic Name

  • 4-Pentynophenone, 2-phenyl-

Registry Numbers

CAS Registry Number

  • 38940-37-3

System Generated Number

  • 0038940373

Structure Descriptors

InChI

1S/C17H14O/c1-2-9-16(14-10-5-3-6-11-14)17(18)15-12-7-4-8-13-15/h1,3-8,10-13,16H,9H2

InChIKey

XMRCGIXNEFRKLH-UHFFFAOYSA-N

Smiles

C#CCC(c1ccccc1)C(=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 850mg/kg (850mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 287, 1972.