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Substance Name: Benzenebutanoic acid, 5-(cyclopentylmethyl)-2,4-dimethoxy-gamma-oxo-, sodium salt
ID: CY90490000
InChIKey: IRPYLNBBUJWLKK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-O5.Na

Molecular Weight

  • 342.3647
 
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Names and Synonyms

Synonyms

  • beta-(2,4-Dimethoxy-5-cyclopentylmethylbenzoyl)propionic acid sodium salt
  • Propionic acid, 3-(alpha-cyclopentyl-4,6-dimethoxy-m-toluoyl)-, sodium salt
  • SC-2798

Systematic Name

  • Benzenebutanoic acid, 5-(cyclopentylmethyl)-2,4-dimethoxy-gamma-oxo-, sodium salt

Registry Numbers

ID Number

  • NIOSH/CY9049000

System Generated Number

  • CY90490000

Molecular Formulas

Molecular Formula

  • C18-H23-O5.Na

Molecular Formula Fragments

  • C18-H23-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H24O5.Na/c1-22-16-11-17(23-2)14(15(19)7-8-18(20)21)10-13(16)9-12-5-3-4-6-12;/h10-12H,3-9H2,1-2H3,(H,20,21);/q;+1/p-1

InChIKey

IRPYLNBBUJWLKK-UHFFFAOYSA-M

Smiles

[Na+].COc1cc(OC)c(cc1CC2CCCC2)C(=O)CCC(=O)[O-]