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Substance Name: Propanoic acid, 2-((3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-
RN: 99007-87-1
InChIKey: VVOLYJNOTQWXLG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-O6

Molecular Weight

  • 326.3026
 
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Names and Synonyms

Synonyms

  • 2-((3-(4-Hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)propanoic acid
  • 7-(1-Hydroxycarbonylethyl)oxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Systematic Name

  • Propanoic acid, 2-((3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl)oxy)-

Registry Numbers

CAS Registry Number

  • 99007-87-1

System Generated Number

  • 0099007871

Structure Descriptors

InChI

1S/C18H14O6/c1-10(18(21)22)24-13-6-7-14-16(8-13)23-9-15(17(14)20)11-2-4-12(19)5-3-11/h2-10,19H,1H3,(H,21,22)

InChIKey

VVOLYJNOTQWXLG-UHFFFAOYSA-N

Smiles

CC(C(=O)O)Oc1ccc2c(c1)occ(c2=O)c3ccc(cc3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 10gm/kg (10000mg/kg)   United States Patent Document. Vol. #4644012,
mouse LD subcutaneous > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4644012,
rat LD oral > 10gm/kg (10000mg/kg)   United States Patent Document. Vol. #4644012,
rat LD subcutaneous > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4644012,