Elinogrel potassiumProduct ingredient for Elinogrel
- Name
- Elinogrel potassium
- Drug Entry
- Elinogrel
A P2Y12 inhibitor and platelet aggregation inhibitor.
- Accession Number
- DBSALT002710
- Structure
Structure for Elinogrel potassium (DBSALT002710)
- Synonyms
- Not Available
- UNII
- Z3N9GGR982
- CAS Number
- 936501-01-8
- Weight
- Average: 562.03
Monoisotopic: 560.9745983 - Chemical Formula
- C20H14ClFKN5O5S2
- InChI Key
- PPADHTVWIWCEDE-UHFFFAOYSA-M
- InChI
- InChI=1S/C20H15ClFN5O5S2.K/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17;/h2-9H,1H3,(H4,23,24,25,26,28,29,30);/q;+1/p-1
- IUPAC Name
- potassium [(5-chlorothiophen-2-yl)sulfonyl]({4-[6-fluoro-7-(methylamino)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}carbamoyl)azanide
- SMILES
- [K+].CNC1=C(F)C=C2C(=O)N(C(=O)NC2=C1)C1=CC=C(NC(=O)[N-]S(=O)(=O)C2=CC=C(Cl)S2)C=C1
- External Links
- ChemSpider
- 28527891
- ChEMBL
- CHEMBL2105641
- Predicted Properties
Property Value Source Water Solubility 0.00364 mg/mL ALOGPS logP 3.33 ALOGPS logP 3.46 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 4.69 Chemaxon pKa (Strongest Basic) 2.01 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 133.91 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 125.15 m3·mol-1 Chemaxon Polarizability 49.2 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon