Cangrelor
Product Code
TRC-C175230-25MG
CAS Number
Product Format
Neat
Molecular Formula
C17 H25 Cl2 F3 N5 O12 P3 S2
Molecular Weight
776.359
Product Categories
Product Information
Chemical Data
Analyte Name
Cangrelor
CAS Number
163706-06-7
Molecular Formula
C17 H25 Cl2 F3 N5 O12 P3 S2
Molecular Weight
776.359
Accurate Mass
774.948
SMILES
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]3O
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
IUPAC
[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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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