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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(4-(4-fluorophenyl)-3-methyl-6-(1-methylethyl)-1-phenyl-1H-pyrazolo(3,4-b)pyridin-5-yl)-, monosodium salt
RN: 126273-96-9
InChIKey: XEQWKUCYMMLKMO-IERUDJENSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H29-F-N3-O4.Na

Molecular Weight

  • 525.5531
 
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Names and Synonyms

  • 6-Heptenoic acid, 3,5-dihydroxy-7-(4-(4-fluorophenyl)-3-methyl-6-(1-methylethyl)-1-phenyl-1H-pyrazolo(3,4-b)pyridin-5-yl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 126273-96-9

System Generated Number

  • 0126273969

Molecular Formulas

Molecular Formula

  • C29-H29-F-N3-O4.Na

Molecular Formula Fragments

  • C29-H29-F-N3-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H30FN3O4.Na/c1-17(2)28-24(14-13-22(34)15-23(35)16-25(36)37)27(19-9-11-20(30)12-10-19)26-18(3)32-33(29(26)31-28)21-7-5-4-6-8-21;/h4-14,17,22-23,34-35H,15-16H2,1-3H3,(H,36,37);/q;+1/p-1/b14-13+;

InChIKey

XEQWKUCYMMLKMO-IERUDJENSA-M

Smiles

Cc1c2c(c(c(nc2n(n1)c3ccccc3)C(C)C)/C=C/C(CC(CC(=O)[O-])O)O)c4ccc(cc4)F.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5024999,