Navarixin monohydrateProduct ingredient for Navarixin
- Name
- Navarixin monohydrate
- Drug Entry
- Navarixin
Navarixin has been investigated for the treatment of Asthma.
- Accession Number
- DBSALT002508
- Structure
Structure for Navarixin monohydrate (DBSALT002508)
- Synonyms
- Navarixin
- External IDs
- SCH 527123
- UNII
- 7V3BY6G538
- CAS Number
- 862464-58-2
- Weight
- Average: 428.485
Monoisotopic: 428.19473663 - Chemical Formula
- C23H28N2O6
- InChI Key
- OVPWPDFETBKAQQ-UNTBIKODSA-N
- InChI
- InChI=1S/C23H26N2O5.H2O/c1-5-7-17(18-11-10-13(2)30-18)24-19-16(21(27)22(19)28)12-14-8-6-9-15(20(14)26)23(29)25(3)4;/h6,8-11,17,24,26H,5,7,12H2,1-4H3;1H2/t17-;/m1./s1
- IUPAC Name
- 2-hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)butyl]amino}-3,4-dioxocyclobut-1-en-1-yl)methyl]benzamide hydrate
- SMILES
- O.[H][C@](CCC)(NC1=C(CC2=C(O)C(=CC=C2)C(=O)N(C)C)C(=O)C1=O)C1=CC=C(C)O1
- External Links
- ChemSpider
- 32698374
- Predicted Properties
Property Value Source Water Solubility 0.0386 mg/mL ALOGPS logP 3.43 ALOGPS logP 4.06 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 7.98 Chemaxon pKa (Strongest Basic) -1.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.85 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 114.86 m3·mol-1 Chemaxon Polarizability 43.69 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon