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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-1,3-dimethyl-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-1H-pyrazolo(3,4-b)pyridin-5-yl)-, monosodium salt
RN: 126272-99-9
InChIKey: UUDRQMHSQCBNAT-RRABGKBLSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-F-N3-O4.Na

Molecular Weight

  • 463.4823
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126272-99-9

System Generated Number

  • 0126272999

Molecular Formulas

Molecular Formula

  • C24-H27-F-N3-O4.Na

Molecular Formula Fragments

  • C24-H27-F-N3-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H28FN3O4.Na/c1-13(2)23-19(10-9-17(29)11-18(30)12-20(31)32)22(15-5-7-16(25)8-6-15)21-14(3)27-28(4)24(21)26-23;/h5-10,13,17-18,29-30H,11-12H2,1-4H3,(H,31,32);/q;+1/p-1/b10-9+;

InChIKey

UUDRQMHSQCBNAT-RRABGKBLSA-M

Smiles

Cc1c2c(c(c(nc2n(n1)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,