162520-00-5 Purity
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Specification
The molecular formula of Cangrelor is C17H25Cl2F3N5O12P3S2.
The molecular weight of Cangrelor is 776.4 g/mol.
The IUPAC name of Cangrelor is [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.
The InChI of Cangrelor is 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.
The CAS number of Cangrelor is 163706-06-7.
The UNII of Cangrelor is 6AQ1Y404U7.
The ChEMBL ID of Cangrelor is CHEMBL334966.
The KEGG ID of Cangrelor is D03359.
The NCI Thesaurus Code of Cangrelor is C76395.
Cangrelor was created on October 25, 2006, and last modified on December 30, 2023.