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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(4-(2-fluorophenyl)-2-(1-methylethyl)-3-quinolinyl)-, monosodium salt
RN: 121661-23-2
InChIKey: KHMKOBLCCYYDDH-CALJPSDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-F-N-O4.Na

Molecular Weight

  • 445.4635
 
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Names and Synonyms

  • 6-Heptenoic acid, 3,5-dihydroxy-7-(4-(2-fluorophenyl)-2-(1-methylethyl)-3-quinolinyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 121661-23-2

System Generated Number

  • 0121661232

Molecular Formulas

Molecular Formula

  • C25-H25-F-N-O4.Na

Molecular Formula Fragments

  • C25-H25-F-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H26FNO4.Na/c1-15(2)25-20(12-11-16(28)13-17(29)14-23(30)31)24(18-7-3-5-9-21(18)26)19-8-4-6-10-22(19)27-25;/h3-12,15-17,28-29H,13-14H2,1-2H3,(H,30,31);/q;+1/p-1/b12-11+;

InChIKey

KHMKOBLCCYYDDH-CALJPSDSSA-M

Smiles

CC(C)c1c(c(c2ccccc2n1)c3ccccc3F)/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,