Flupirtine maleateProduct ingredient for Flupirtine
- Name
- Flupirtine maleate
- 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
- DBSALT000912
- Structure
- Synonyms
- Flupirtine maleate
- External IDs
- D-9998 / W 2964M / W-2964M
- UNII
- 0VCI53PK4A
- CAS Number
- 75507-68-5
- Weight
- Average: 420.397
Monoisotopic: 420.144512575 - Chemical Formula
- C19H21FN4O6
- InChI Key
- DPYIXBFZUMCMJM-BTJKTKAUSA-N
- InChI
- InChI=1S/C15H17FN4O2.C4H4O4/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;5-3(6)1-2-4(7)8/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; ethyl N-(2-amino-6-{[(4-fluorophenyl)methyl]amino}pyridin-3-yl)carbamate
- SMILES
- [H]\C(=C(/[H])C(O)=O)C(O)=O.CCOC(=O)NC1=C(N)N=C(NCC2=CC=C(F)C=C2)C=C1
- External Links
- PubChem Compound
- 6435335
- ChemSpider
- 4940121
- ChEMBL
- CHEMBL1256752
- Predicted Properties
Property Value Source Water Solubility 0.0732 mg/mL ALOGPS logP 2.61 ALOGPS logP 2.67 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 12.9 Chemaxon pKa (Strongest Basic) 7.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 89.27 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 85.49 m3·mol-1 Chemaxon Polarizability 31.37 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon