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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(2-(1-methylethyl)-4-(4-(trifluoromethyl)phenyl)-3-quinolinyl)-, monosodium salt
RN: 121661-29-8
InChIKey: LZWOFCQDQIJSMW-CALJPSDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H25-F3-N-O4.Na

Molecular Weight

  • 495.4705
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 121661-29-8

System Generated Number

  • 0121661298

Molecular Formulas

Molecular Formula

  • C26-H25-F3-N-O4.Na

Molecular Formula Fragments

  • C26-H25-F3-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H26F3NO4.Na/c1-15(2)25-21(12-11-18(31)13-19(32)14-23(33)34)24(20-5-3-4-6-22(20)30-25)16-7-9-17(10-8-16)26(27,28)29;/h3-12,15,18-19,31-32H,13-14H2,1-2H3,(H,33,34);/q;+1/p-1/b12-11+;

InChIKey

LZWOFCQDQIJSMW-CALJPSDSSA-M

Smiles

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