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Substance Name: 6-Heptenoic acid, 7-(3-cyclopropyl-4-(4-fluorophenyl)-6-(1-methylethyl)-1-phenyl-1H-pyrazolo(3,4-b)pyridin-5-yl)-3,5-dihydroxy-, monosodium salt
RN: 126274-06-4
InChIKey: JUANAWGOSZVIQF-WPDLWGESSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H31-F-N3-O4.Na

Molecular Weight

  • 551.5909
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126274-06-4

System Generated Number

  • 0126274064

Molecular Formulas

Molecular Formula

  • C31-H31-F-N3-O4.Na

Molecular Formula Fragments

  • C31-H31-F-N3-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H32FN3O4.Na/c1-18(2)29-25(15-14-23(36)16-24(37)17-26(38)39)27(19-10-12-21(32)13-11-19)28-30(20-8-9-20)34-35(31(28)33-29)22-6-4-3-5-7-22;/h3-7,10-15,18,20,23-24,36-37H,8-9,16-17H2,1-2H3,(H,38,39);/q;+1/p-1/b15-14+;

InChIKey

JUANAWGOSZVIQF-WPDLWGESSA-M

Smiles

CC(C)c1c(c(c2c(nn(c2n1)c3ccccc3)C4CC4)c5ccc(cc5)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. #5024999,