Pyronaridine tetraphosphateProduct ingredient for Pyronaridine
- Name
- Pyronaridine tetraphosphate
- Drug Entry
- Pyronaridine
Pyronaridine has been investigated for the treatment of Malaria.
- Accession Number
- DBSALT003083
- Structure
Structure for Pyronaridine tetraphosphate (DBSALT003083)
- Synonyms
- Pyronaridine phosphate
- UNII
- 2T289F9ACO
- CAS Number
- Not Available
- Weight
- Average: 910.03
Monoisotopic: 909.1320353 - Chemical Formula
- C29H44ClN5O18P4
- InChI Key
- YKUQEKXHQFYULM-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;4*1-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4*(H3,1,2,3,4)
- IUPAC Name
- 4-({7-chloro-2-methoxybenzo[b]1,5-naphthyridin-10-yl}amino)-2,6-bis[(pyrrolidin-1-yl)methyl]phenol; tetrakis(phosphoric acid)
- SMILES
- OP(O)(O)=O.OP(O)(O)=O.OP(O)(O)=O.OP(O)(O)=O.COC1=NC2=C(NC3=CC(CN4CCCC4)=C(O)C(CN4CCCC4)=C3)C3=CC=C(Cl)C=C3N=C2C=C1
- External Links
- ChemSpider
- 21252464
- ChEMBL
- CHEMBL2095224
- Wikipedia
- Pyronaridine
- Predicted Properties
Property Value Source Water Solubility 0.0132 mg/mL ALOGPS logP 5.78 ALOGPS logP 4.22 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 7.96 Chemaxon pKa (Strongest Basic) 10.08 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 73.75 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 147.74 m3·mol-1 Chemaxon Polarizability 57.38 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