Flupirtine gluconateProduct ingredient for Flupirtine

Name
Flupirtine gluconate
Drug Entry
Flupirtine

Flupirtine is a pyridine derivative that is in clinical use as a nonopioid analgesic. It was approved for the treatment of pain in 1984 in Europe. It is not approved for use in the U.S. or Canada, but is currently in phase II trials for the treatment of fibromyalgia.

Accession Number
DBSALT002360
Structure
Thumb
Synonyms
Not Available
UNII
D7NP6CR89M
CAS Number
815586-85-7
Weight
Average: 500.48
Monoisotopic: 500.191856693
Chemical Formula
C21H29FN4O9
InChI Key
KTUKTXYTLNEYHO-IFWQJVLJSA-N
InChI
InChI=1S/C15H17FN4O2.C6H12O7/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1
IUPAC Name
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; ethyl N-(2-amino-6-{[(4-fluorophenyl)methyl]amino}pyridin-3-yl)carbamate
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.CCOC(=O)NC1=CC=C(NCC2=CC=C(F)C=C2)N=C1N
External Links
ChemSpider
18564126
Predicted Properties
PropertyValueSource
Water Solubility0.0732 mg/mLALOGPS
logP2.61ALOGPS
logP2.67ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)12.9ChemAxon
pKa (Strongest Basic)7.5ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area89.27 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity85.49 m3·mol-1ChemAxon
Polarizability31.57 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon