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Substance Name: Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester
RN: 137988-05-7
InChIKey: AOEGZILUCAJRCF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-O6

Molecular Weight

  • 312.2758
 
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Names and Synonyms

Synonyms

  • BRN 5448677
  • Methyl 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)benzoate

Systematic Name

  • Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 137988-05-7

System Generated Number

  • 0137988057

Structure Descriptors

InChI

1S/C17H12O6/c1-21-17(20)10-2-5-12(6-3-10)23-15-9-22-14-8-11(18)4-7-13(14)16(15)19/h2-9,18H,1H3

InChIKey

AOEGZILUCAJRCF-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)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.