Oxantel pamoateProduct ingredient for Oxantel
- Name
- Oxantel pamoate
- Drug Entry
- Oxantel
- Accession Number
- DBSALT002991
- Structure
Structure for Oxantel pamoate (DBSALT002991)
- Synonyms
- Oxanel pamoate / Oxantel pamoate
- External IDs
- CP 14,445-16 / CP-14,445-16
- UNII
- UPY1D732T0
- CAS Number
- 68813-55-8
- Weight
- Average: 604.659
Monoisotopic: 604.220951378 - Chemical Formula
- C36H32N2O7
- InChI Key
- CCOAINFUFGBHBA-UETGHTDLSA-N
- InChI
- InChI=1S/C23H16O6.C13H16N2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-7,10,16H,3,8-9H2,1H3/b;7-6+
- IUPAC Name
- 3-[(1E)-2-(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]phenol; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
- SMILES
- CN1CCCN=C1\C=C\C1=CC(O)=CC=C1.OC(=O)C1=C(O)C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C2C=CC=CC2=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.00418 mg/mL ALOGPS logP 4.58 ALOGPS logP 6.05 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 2.38 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 115.06 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 107.17 m3·mol-1 Chemaxon Polarizability 38.87 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon