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Substance Name: Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester
RN: 137987-92-9
InChIKey: ILFLFDSLJRPWIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O6

Molecular Weight

  • 302.2806
 
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Names and Synonyms

Synonyms

  • BRN 5445189
  • Methyl 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)benzoate

Systematic Name

  • Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 137987-92-9

System Generated Number

  • 0137987929

Structure Descriptors

InChI

1S/C16H14O6/c1-21-16(20)10-2-5-12(6-3-10)22-9-15(19)13-7-4-11(17)8-14(13)18/h2-8,17-18H,9H2,1H3

InChIKey

ILFLFDSLJRPWIW-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(cc1)OCC(=O)c2ccc(cc2O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1800mg/kg (1800mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 816, 1991.