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Substance Name: 6-Heptenoic acid, 3,5-dihydroxy-7-(4-(4-fluorophenyl)-3-methyl-6-(1-methylethyl)-1-(phenylmethyl)-1H-pyrazolo(3,4-b)pyridin-5-yl)-, monosodium salt
RN: 126274-04-2
InChIKey: NVVYNVLUGQTULK-IERUDJENSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H31-F-N3-O4.Na

Molecular Weight

  • 539.5799
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126274-04-2

System Generated Number

  • 0126274042

Molecular Formulas

Molecular Formula

  • C30-H31-F-N3-O4.Na

Molecular Formula Fragments

  • C30-H31-F-N3-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H32FN3O4.Na/c1-18(2)29-25(14-13-23(35)15-24(36)16-26(37)38)28(21-9-11-22(31)12-10-21)27-19(3)33-34(30(27)32-29)17-20-7-5-4-6-8-20;/h4-14,18,23-24,35-36H,15-17H2,1-3H3,(H,37,38);/q;+1/p-1/b14-13+;

InChIKey

NVVYNVLUGQTULK-IERUDJENSA-M

Smiles

Cc1c2c(c(c(nc2n(n1)Cc3ccccc3)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,