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Substance Name: Benzenebutanoic acid, 3,5-dimethoxy-alpha-hydroxy-gamma-oxo-
RN: 81008-15-3
InChIKey: DWCUPLBOAABBJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-O6

Molecular Weight

  • 254.2366
 
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Names and Synonyms

Synonyms

  • 3,5-Dimethoxy-alpha-hydroxy-gamma-oxobenzenebutanoic acid
  • 4-(3,5-Dimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid

Systematic Name

  • Benzenebutanoic acid, 3,5-dimethoxy-alpha-hydroxy-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 81008-15-3

System Generated Number

  • 0081008153

Structure Descriptors

InChI

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

InChIKey

DWCUPLBOAABBJH-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1)OC)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,