CAS Number
Molecular Formula
C17H25Cl2F3N5O12P3S2
Product format
Neat
Molecular Weight
776.4
Shipping
Room Temperature
API Family
Synonyms
Cangrelor; 163706-06-7; AR-C69931XX; AR-C69931MX; 6AQ1Y404U7; CHEBI:90841; DTXSID90167651; [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; (Dichloromethylene)diphosphonic N-(2-(methylsulfanyl)ethyl)-2-((3, 3, 3-trifluoropropyl)sulfanyl-5'-adenylic monoanhydride; cangrelorum; (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; RefChem:57346; DTXCID8090142; B01AC25; N(6)-(2-methylthioethyl)-2-(3, 3, 3-trifluoropropylthio)-5'-adenylic acid monoanhydride with dichloromethylenebis(phosphonic acid); Kengreal; Cangrelor free acid; CHEMBL334966; (dichloro((((((2R, 3S, 4R, 5R)-3, 4-dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3, 3 and 3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)methyl)phosphonic acid; 163706-06-7 (free acid)
Iupac Name
[dichloro-[[[(2R, 3S, 4R, 5R)-3, 4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3, 3 and 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
