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Substance Name: Benzoic acid, o-(3-allyl-5-methyl-2-oxotetrahydro-3-furyl)-, methyl ester
RN: 41205-45-2
InChIKey: QUHMHLIMGCIDSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-O4

Molecular Weight

  • 274.314
 
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Names and Synonyms

Synonyms

  • 2-(Tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-3-furanyl)benzoic acid methyl ester
  • 5-18-08-00371 (Beilstein Handbook Reference)
  • alpha-Allilo-alpha-(o-karbometoksy)fenylowej-gamma-metylo-gamma-butyrolaktonu
  • alpha-Allilo-alpha-(o-karbometoksy)fenylowej-gamma-metylo-gamma-butyrolaktonu [Polish]
  • alpha-Allyl-alpha-(o-carbomethoxy)phenyl-gamma-methyl-gamma-butyrolactone
  • Benzoic acid, 2-(tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-3-furanyl)-, methyl ester
  • BRN 1434869
  • o-(3-Allyl-5-methyl-2-oxotetrahydro-3-furyl)benzoic acid methyl ester

Systematic Name

  • Benzoic acid, o-(3-allyl-5-methyl-2-oxotetrahydro-3-furyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 41205-45-2

System Generated Number

  • 0041205452

Structure Descriptors

InChI

1S/C16H18O4/c1-4-9-16(10-11(2)20-15(16)18)13-8-6-5-7-12(13)14(17)19-3/h4-8,11H,1,9-10H2,2-3H3

InChIKey

QUHMHLIMGCIDSZ-UHFFFAOYSA-N

Smiles

c1([C@@]2(C(O[C@@H](C2)C)=O)CC=C)c(cccc1)C(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 515mg/kg (515mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 26, Pg. 617, 1974.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Farmaco, Edizione Scientifica. Vol. 21, Pg. 394, 1966.