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Substance Name: 6-Heptenoic acid, 7-(4-(4-chlorophenyl)-2-(1-methylethyl)-3-quinolinyl)-3,5-dihydroxy-, monosodium salt
RN: 121659-16-3
InChIKey: FTFVXCGAKYXNEV-CALJPSDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-Cl-N-O4.Na

Molecular Weight

  • 461.9185
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 121659-16-3

System Generated Number

  • 0121659163

Molecular Formulas

Molecular Formula

  • C25-H25-Cl-N-O4.Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C25H26ClNO4.Na/c1-15(2)25-21(12-11-18(28)13-19(29)14-23(30)31)24(16-7-9-17(26)10-8-16)20-5-3-4-6-22(20)27-25;/h3-12,15,18-19,28-29H,13-14H2,1-2H3,(H,30,31);/q;+1/p-1/b12-11+;

InChIKey

FTFVXCGAKYXNEV-CALJPSDSSA-M

Smiles

CC(C)c1c(c(c2ccccc2n1)c3ccc(cc3)Cl)/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,