Cangrelor

Description: Cangrelor / Kengreal / Kengrexal is a P2Y12 inhibitor as an antiplatelet drug. Unlike clopidogrel (Plavix), which is a prodrug, cangrelor is an active drug not requiring metabolic conversion.

• Catalog: OFC163706067
• CAS: 163706-06-7
• Category: Fluorinated APIs
• Synonyms: Kengreal
• Purity: 98%

• IUPAC Name: [dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
• InChI: InChI=1S/C17H25Cl2F3N5O12P3S2/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)/t8-,10-,11-,14-/m1/s1
• InChI Key: PAEBIVWUMLRPSK-IDTAVKCVSA-N
• Isomeric SMILES: CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O

• Molecular Formula: C17H25Cl2F3N5O12P3S2
• Molecular Weight: 774.37
• Appearance: Off-white powder

• XLogP3-AA: -1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 15
• Exact Mass: 774.9483145 g/mol
• Monoisotopic Mass: 774.9483145 g/mol
• Topological Polar Surface Area: 307Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1140