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Substance Name: Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-
RN: 80937-25-3
InChIKey: TVDDGJGRFUWERP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-O6

Molecular Weight

  • 254.2366
 
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Names and Synonyms

Synonyms

  • 3,4-Dimethoxy-alpha-hydroxy-gamma-oxobenzenebutanoic acid
  • 4-(3,4-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid

Systematic Name

  • Benzenebutanoic acid, 3,4-dimethoxy-alpha-hydroxy-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 80937-25-3

System Generated Number

  • 0080937253

Structure Descriptors

InChI

1S/C12H14O6/c1-17-10-4-3-7(5-11(10)18-2)8(13)6-9(14)12(15)16/h3-5,9,14H,6H2,1-2H3,(H,15,16)

InChIKey

TVDDGJGRFUWERP-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)C(=O)CC(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   British UK Patent Application. Vol. #2074575,