Pranlukast hydrateProduct ingredient for Pranlukast
- Name
- Pranlukast hydrate
- Drug Entry
- Pranlukast
Pranlukast is a cysteinyl leukotriene receptor-1 antagonist. It antagonizes or reduces bronchospasm caused, principally in asthmatics, by an allergic reaction to accidentally or inadvertently encountered allergens.
- Accession Number
- DBSALT003009
- Structure
Structure for Pranlukast hydrate (DBSALT003009)
- Synonyms
- Pranlukast hemihydrate / Pranlukast hydrate
- UNII
- FR702N558K
- CAS Number
- 150821-03-7
- Weight
- Average: 981.039
Monoisotopic: 980.360573166 - Chemical Formula
- C54H48N10O9
- InChI Key
- MSXTUBJFNBZPGC-UHFFFAOYSA-N
- InChI
- InChI=1S/2C27H23N5O4.H2O/c2*33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18;/h2*1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32);1H2
- IUPAC Name
- bis(N-[4-oxo-2-(1H-1,2,3,4-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide) hydrate
- SMILES
- [H]O[H].O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NN=NN1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1.O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NN=NN1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
- External Links
- ChemSpider
- 10153003
- Wikipedia
- Pranlukast
- Predicted Properties
Property Value Source Water Solubility 0.00304 mg/mL ALOGPS logP 4.56 ALOGPS logP 4.44 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 1.73 Chemaxon pKa (Strongest Basic) -1.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 119.09 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 139.28 m3·mol-1 Chemaxon Polarizability 51.23 Å3 Chemaxon Number of Rings 10 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon