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Substance Name: 2(3H)-Furanone, dihydro-3-acetyl-3-benzyl-5-(2-propynyloxymethyl)-
RN: 31339-79-4
InChIKey: BYAOJGZDQOCPNK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-O4

Molecular Weight

  • 286.325
 
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Names and Synonyms

Synonyms

  • gamma-Butyrolactone, 2-acetyl-2-benzyl-4-propargyloxymethyl-
  • Propargyloxymethyl-4 acetyl-2 benzyl-2 gamma-butyrolactone

Systematic Name

  • 2(3H)-Furanone, dihydro-3-acetyl-3-benzyl-5-(2-propynyloxymethyl)-

Registry Numbers

CAS Registry Number

  • 31339-79-4

System Generated Number

  • 0031339794

Structure Descriptors

InChI

1S/C17H18O4/c1-3-9-20-12-15-11-17(13(2)18,16(19)21-15)10-14-7-5-4-6-8-14/h1,4-8,15H,9-12H2,2H3

InChIKey

BYAOJGZDQOCPNK-UHFFFAOYSA-N

Smiles

C1[C@@](Cc2ccccc2)(C(O[C@@H]1COCC#C)=O)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 403, 1970.