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Substance Name: Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-3,4,5-trimethoxy-
RN: 84386-09-4
InChIKey: LZXVMAHYXAJXNC-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-(3,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid
  • alpha-Hydroxy-gamma-oxo-3,4,5-trimethoxybenzenebutanoic acid

Systematic Name

  • Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-3,4,5-trimethoxy-

Registry Numbers

CAS Registry Number

  • 84386-09-4

System Generated Number

  • 0084386094

Structure Descriptors

InChI

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

InChIKey

LZXVMAHYXAJXNC-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)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,