Vidofludimus CalciumProduct ingredient for Vidofludimus
- Name
- Vidofludimus Calcium
- Drug Entry
- Vidofludimus
Vidofludimus is under investigation in clinical trial NCT03722576 (Vidofludimus Calcium for Primary Sclerosing Cholangitis).
- Accession Number
- DBSALT002955
- Structure
Structure for Vidofludimus Calcium (DBSALT002955)
- Synonyms
- Not Available
- UNII
- FW5VY7926X
- CAS Number
- 1354012-90-0
- Weight
- Average: 748.793
Monoisotopic: 748.1909133 - Chemical Formula
- C40H34CaF2N2O8
- InChI Key
- KWSJBFAXOPFZSO-UHFFFAOYSA-L
- InChI
- InChI=1S/2C20H18FNO4.Ca/c2*1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25;/h2*2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25);/q;;+2/p-2
- IUPAC Name
- calcium bis(2-({3-fluoro-3'-methoxy-[1,1'-biphenyl]-4-yl}carbamoyl)cyclopent-1-ene-1-carboxylate)
- SMILES
- [Ca++].[H]N(C(=O)C1=C(C([O-])=O)C([H])([H])C([H])([H])C1([H])[H])C1=C(F)C([H])=C(C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H].[H]N(C(=O)C1=C(C([O-])=O)C([H])([H])C([H])([H])C1([H])[H])C1=C(F)C([H])=C(C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]
- External Links
- ChemSpider
- 78433038
- Predicted Properties
Property Value Source Water Solubility 0.00018 mg/mL ALOGPS logP 6.57 ALOGPS logP 3.8 Chemaxon logS -6.6 ALOGPS pKa (Strongest Acidic) 3.07 Chemaxon pKa (Strongest Basic) -1.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 78.46 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 107.05 m3·mol-1 Chemaxon Polarizability 36.3 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon