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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(4-(3,5-dimethylphenyl)-2-(1-methylethyl)-3-quinolinyl)-, monosodium salt
RN: 121661-31-2
InChIKey: GKLRLEOGALPILK-RRABGKBLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-N-O4.Na

Molecular Weight

  • 455.527
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 121661-31-2

System Generated Number

  • 0121661312

Molecular Formulas

Molecular Formula

  • C27-H29-N-O4.Na

Molecular Formula Fragments

  • C27-H29-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H31NO4.Na/c1-16(2)27-23(10-9-20(29)14-21(30)15-25(31)32)26(19-12-17(3)11-18(4)13-19)22-7-5-6-8-24(22)28-27;/h5-13,16,20-21,29-30H,14-15H2,1-4H3,(H,31,32);/q;+1/p-1/b10-9+;

InChIKey

GKLRLEOGALPILK-RRABGKBLSA-M

Smiles

Cc1cc(cc(c1)c2c3ccccc3nc(c2/C=C/C(CC(CC(=O)[O-])O)O)C(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,