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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(7-methyl-2-(1-methylethyl)-4-phenyl-3-quinolinyl)-, monosodium salt
RN: 121661-24-3
InChIKey: MTBFJPPBSIUDLN-VHPXAQPISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-N-O4.Na

Molecular Weight

  • 441.5002
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 121661-24-3

System Generated Number

  • 0121661243

Molecular Formulas

Molecular Formula

  • C26-H28-N-O4.Na

Molecular Formula Fragments

  • C26-H28-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H29NO4.Na/c1-16(2)26-22(12-10-19(28)14-20(29)15-24(30)31)25(18-7-5-4-6-8-18)21-11-9-17(3)13-23(21)27-26;/h4-13,16,19-20,28-29H,14-15H2,1-3H3,(H,30,31);/q;+1/p-1/b12-10+;

InChIKey

MTBFJPPBSIUDLN-VHPXAQPISA-M

Smiles

Cc1ccc2c(c1)nc(c(c2c3ccccc3)/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,