Product Code
TRC-C175230-100MG
CAS Number
Product Format
Neat
Molecular Formula
C17 H25 Cl2 F3 N5 O12 P3 S2
Molecular Weight
776.359
Product Categories
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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
Country of Origin
CANADA
Product Format
Neat
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