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Substance Name: 2-(3-Benzoylphenyl)propionitrile
RN: 42872-30-0
UNII: T1XT2245YV
InChIKey: RGYOCHMZSLUCNP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-N-O

Molecular Weight

  • 235.285
 
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Names and Synonyms

Name of Substance

  • 2-(3-Benzoylphenyl)propionitrile

Synonyms

  • 2-(3-Benzoylphenyl)propionitrile
  • 24336 R.P.
  • BRN 2844731
  • EC 255-982-5
  • EINECS 255-982-5
  • UNII-T1XT2245YV

Systematic Names

  • 2-(m-Benzoylphenyl)propionitrile
  • Benzeneacetonitrile, 3-benzoyl-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 42872-30-0

FDA UNII

  • T1XT2245YV

System Generated Number

  • 0042872300

Structure Descriptors

InChI

1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

InChIKey

RGYOCHMZSLUCNP-UHFFFAOYSA-N

Smiles

c1(C(c2ccccc2)=O)cc(ccc1)[C@@H](C#N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 483mg/kg (483mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 11, Pg. 661, 1976.