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Substance Name: 2-Furancarbonitrile, tetrahydro-5-oxo-4-phenyl-
RN: 42013-28-5
InChIKey: AWJCOLWSBVPCSE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H9-N-O2

Molecular Weight

  • 187.197
 
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Names and Synonyms

Synonyms

  • 5-Oxo-4-phenyltetrahydro-2-furancarbonitrile
  • Nitrile of alpha-phenyltetrahydrofuranone-2-gamma-carboxylic acid

Systematic Name

  • 2-Furancarbonitrile, tetrahydro-5-oxo-4-phenyl-

Registry Numbers

CAS Registry Number

  • 42013-28-5

System Generated Number

  • 0042013285

Structure Descriptors

InChI

1S/C11H9NO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-5,9-10H,6H2

InChIKey

AWJCOLWSBVPCSE-UHFFFAOYSA-N

Smiles

c1([C@@H]2C(O[C@@H](C2)C#N)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 49mg/kg (49mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 21, Pg. 309, 1973.