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Substance Name: 2(5H)Furanone, 4-hydroxy-3-octyl-
RN: 21053-91-8
InChIKey: XEWIJLZVIRYMIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-O3

Molecular Weight

  • 212.287
 
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Names and Synonyms

Synonyms

  • 3-Octyl-4-hydroxy-2(5H)furanone
  • alpha-Octyl-beta-hydroxy-delta(sup alpha,beta)-butenolid
  • alpha-Octyl-beta-hydroxy-delta(sup alpha,beta)-butenolid [German]
  • BRN 1567527

Systematic Name

  • 2(5H)Furanone, 4-hydroxy-3-octyl-

Registry Numbers

CAS Registry Number

  • 21053-91-8

System Generated Number

  • 0021053918

Structure Descriptors

InChI

1S/C12H20O3/c1-2-3-4-5-6-7-8-10-11(13)9-15-12(10)14/h13H,2-9H2,1H3

InChIKey

XEWIJLZVIRYMIK-UHFFFAOYSA-N

Smiles

C1(=C(COC1=O)O)CCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 277, 1961.
mouse LD50 subcutaneous 1500mg/kg (1500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 277, 1961.