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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(4-(4-fluoro-3-methylphenyl)-2-(1-methylethyl)-3-quinolinyl)-, monosodium salt
RN: 121661-30-1
InChIKey: BQNFCBBPRGPUOJ-RRABGKBLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-F-N-O4.Na

Molecular Weight

  • 459.4903
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 121661-30-1

System Generated Number

  • 0121661301

Molecular Formulas

Molecular Formula

  • C26-H27-F-N-O4.Na

Molecular Formula Fragments

  • C26-H27-F-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H28FNO4.Na/c1-15(2)26-21(10-9-18(29)13-19(30)14-24(31)32)25(17-8-11-22(27)16(3)12-17)20-6-4-5-7-23(20)28-26;/h4-12,15,18-19,29-30H,13-14H2,1-3H3,(H,31,32);/q;+1/p-1/b10-9+;

InChIKey

BQNFCBBPRGPUOJ-RRABGKBLSA-M

Smiles

Cc1cc(ccc1F)c2c3ccccc3nc(c2/C=C/C(CC(CC(=O)[O-])O)O)C(C)C.[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,