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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(2-ethyl-4-(4-fluorophenyl)-3-quinolinyl)-, monosodium salt
RN: 121661-32-3
InChIKey: XGYYUHUSYKBEHJ-CALJPSDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-F-N-O4.Na

Molecular Weight

  • 431.4367
 
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Names and Synonyms

Synonym

  • Monosodium 3,5-dihydroxy-7-(2-ethyl-4-(4-fluorophenyl)-3-quinolinyl)-6-heptenoate

Systematic Name

  • 6-Heptenoic acid, 3,5-dihydroxy-7-(2-ethyl-4-(4-fluorophenyl)-3-quinolinyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 121661-32-3

System Generated Number

  • 0121661323

Molecular Formulas

Molecular Formula

  • C24-H23-F-N-O4.Na

Molecular Formula Fragments

  • C24-H23-F-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H24FNO4.Na/c1-2-21-20(12-11-17(27)13-18(28)14-23(29)30)24(15-7-9-16(25)10-8-15)19-5-3-4-6-22(19)26-21;/h3-12,17-18,27-28H,2,13-14H2,1H3,(H,29,30);/q;+1/p-1/b12-11+;

InChIKey

XGYYUHUSYKBEHJ-CALJPSDSSA-M

Smiles

CCc1c(c(c2ccccc2n1)c3ccc(cc3)F)/C=C/C(CC(CC(=O)[O-])O)O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5102888,