Cangrelor tetrasodiumProduct ingredient for Cangrelor
- Name
- Cangrelor tetrasodium
- Drug Entry
- Cangrelor
Cangrelor is an intravenous, direct-acting, reversible P2Y12 inhibitor for patients undergoing percutaneous coronary intervention (PCI) who have not been yet treated by oral P2Y12 inhibitors. An advantage Cangrelor provides over oral P2Y12 inhibitors (such as prasugrel, ticagrelor, and clopidogrel) is that it is an active drug not requiring metabolic conversion therefore providing a rapid onset and offset of action. Cangrelor was approved by the FDA in June 2015 for intravenous application.
- Accession Number
- DBSALT001292
- Structure
Structure for Cangrelor tetrasodium (DBSALT001292)
- Synonyms
- Not Available
- UNII
- 2144G00Y7W
- CAS Number
- 163706-36-3
- Weight
- Average: 864.27
Monoisotopic: 862.8760915 - Chemical Formula
- C17H21Cl2F3N5Na4O12P3S2
- InChI Key
- COWWROCHWNGJHQ-OPKBHZIBSA-J
- InChI
- InChI=1S/C17H25Cl2F3N5O12P3S2.4Na/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32;;;;/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32);;;;/q;4*+1/p-4/t8-,10-,11-,14-;;;;/m1..../s1
- IUPAC Name
- tetrasodium {dichloro[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[2-(methylsulfanyl)ethyl]amino}-2-[(3,3,3-trifluoropropyl)sulfanyl]-9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)phosphinato]methyl}phosphonate
- SMILES
- [Na+].[Na+].[Na+].[Na+].CSCCNC1=C2N=CN([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1
- External Links
- KEGG Drug
- D03361
- ChemSpider
- 8435512
- ChEBI
- 90836
- ChEMBL
- CHEMBL1097279
- Wikipedia
- Cangrelor
- Predicted Properties
Property Value Source Water Solubility 4.51 mg/mL ALOGPS logP 2.69 ALOGPS logP -0.12 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 0.8 Chemaxon pKa (Strongest Basic) 2.61 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 267.23 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 149.29 m3·mol-1 Chemaxon Polarizability 62.89 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon