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Substance Name: 4-Benzofuranbutyric acid, 2-ethyl-7-methoxy-3-methyl-gamma-oxo-, sodium salt
RN: 73698-61-0
InChIKey: PYQPVQCPVUFSKA-UHFFFAOYSA-M

Molecular Formula

  • C16-H17-O5.Na

Molecular Weight

  • 312.295
 
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Names and Synonyms

Synonym

  • Sodium 2-ethyl-7-methoxy-3-methyl-gamma-oxo-4-benzofuranbutyrate

Systematic Name

  • 4-Benzofuranbutyric acid, 2-ethyl-7-methoxy-3-methyl-gamma-oxo-, sodium salt

Registry Numbers

CAS Registry Number

  • 73698-61-0

System Generated Number

  • 0073698610

Molecular Formulas

Molecular Formula

  • C16-H17-O5.Na

Molecular Formula Fragments

  • C16-H17-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H18O5.Na/c1-4-12-9(2)15-10(11(17)6-8-14(18)19)5-7-13(20-3)16(15)21-12;/h5,7H,4,6,8H2,1-3H3,(H,18,19);/q;+1/p-1

InChIKey

PYQPVQCPVUFSKA-UHFFFAOYSA-M

Smiles

c12c(c(ccc1C(CCC(=O)[O-])=O)OC)oc(c2C)CC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2gm/kg (2000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 676, 1970.