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Substance Name: Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-
RN: 84386-08-3
InChIKey: OBONXZUSAFUWST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O7

Molecular Weight

  • 284.2624
 
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Names and Synonyms

Synonyms

  • 4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid
  • alpha-Hydroxy-gamma-oxo-2,4,5-trimethoxybenzenebutanoic acid

Systematic Name

  • Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-

Registry Numbers

CAS Registry Number

  • 84386-08-3

System Generated Number

  • 0084386083

Structure Descriptors

InChI

1S/C13H16O7/c1-18-10-6-12(20-3)11(19-2)4-7(10)8(14)5-9(15)13(16)17/h4,6,9,15H,5H2,1-3H3,(H,16,17)

InChIKey

OBONXZUSAFUWST-UHFFFAOYSA-N

Smiles

COc1cc(c(cc1OC)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. #2096999,