Ifetroban SodiumProduct ingredient for Ifetroban
- Name
- Ifetroban Sodium
- Drug Entry
- Ifetroban
Ifetroban has been used in trials studying the treatment of Skin Diseases, Autoimmune Diseases, Pathologic Processes, Scleroderma, Limited, and Scleroderma, Diffuse, among others.
- Accession Number
- DBSALT002177
- Structure
Structure for Ifetroban Sodium (DBSALT002177)
- Synonyms
- Not Available
- UNII
- 48IJA0E92C
- CAS Number
- 156715-37-6
- Weight
- Average: 462.522
Monoisotopic: 462.21306639 - Chemical Formula
- C25H31N2NaO5
- InChI Key
- WOHSQDNIXPEQAE-QBKVZTCDSA-M
- InChI
- InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/p-1/t18-,20-,21+,23-;/m0./s1
- IUPAC Name
- sodium 3-(2-{[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl}phenyl)propanoate
- SMILES
- [Na+].CCCCCNC(=O)C1=COC(=N1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1CC1=CC=CC=C1CCC([O-])=O
- External Links
- ChemSpider
- 32702323
- ChEMBL
- CHEMBL3301674
- Predicted Properties
Property Value Source Water Solubility 0.0135 mg/mL ALOGPS logP 4.31 ALOGPS logP 3.95 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 4.65 Chemaxon pKa (Strongest Basic) -2.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 104.49 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 130.08 m3·mol-1 Chemaxon Polarizability 48.51 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon