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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(1-(1,1-dimethylethyl)-4-(4-fluorophenyl)-3-methyl-6-(1-methylethyl)-1H-pyrazolo(3,4-b)pyridin-5-yl)-, monosodium salt
RN: 126274-01-9
InChIKey: KEOXTQUYGYOPAE-CALJPSDSSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-F-N3-O4.Na

Molecular Weight

  • 505.5627
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126274-01-9

System Generated Number

  • 0126274019

Molecular Formulas

Molecular Formula

  • C27-H33-F-N3-O4.Na

Molecular Formula Fragments

  • C27-H33-F-N3-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H34FN3O4.Na/c1-15(2)25-21(12-11-19(32)13-20(33)14-22(34)35)24(17-7-9-18(28)10-8-17)23-16(3)30-31(26(23)29-25)27(4,5)6;/h7-12,15,19-20,32-33H,13-14H2,1-6H3,(H,34,35);/q;+1/p-1/b12-11+;

InChIKey

KEOXTQUYGYOPAE-CALJPSDSSA-M

Smiles

Cc1c2c(c(c(nc2n(n1)C(C)(C)C)C(C)C)/C=C/C(CC(CC(=O)[O-])O)O)c3ccc(cc3)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,