Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 6-Heptenoic acid, 7-(3-(4-chlorophenyl)4-(4-fluorophenyl)-1-methyl-6-(1-methylethyl)-1H-pyrazolo(3,4-b)pyridin-5-yl)-3,5-dihydroxy-, monosodium salt
RN: 126274-05-3
InChIKey: FUMHSPMYMWCXHU-UEIGIMKUSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H28-Cl-F-N3-O4.Na

Molecular Weight

  • 559.9982
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126274-05-3

System Generated Number

  • 0126274053

Molecular Formulas

Molecular Formula

  • C29-H28-Cl-F-N3-O4.Na

Molecular Formula Fragments

  • C29-H28-Cl-F-N3-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H29ClFN3O4.Na/c1-16(2)27-23(13-12-21(35)14-22(36)15-24(37)38)25(17-6-10-20(31)11-7-17)26-28(33-34(3)29(26)32-27)18-4-8-19(30)9-5-18;/h4-13,16,21-22,35-36H,14-15H2,1-3H3,(H,37,38);/q;+1/p-1/b13-12+;

InChIKey

FUMHSPMYMWCXHU-UEIGIMKUSA-M

Smiles

CC(C)c1c(c(c2c(nn(c2n1)C)c3ccc(cc3)Cl)c4ccc(cc4)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,