Products 847460-53-1

CAS 847460-53-1 is the registry number for Cangrelor Impurity 2. Offered by: Chemat Brand. Available pack sizes: on request.

Cangrelor Impurity 2
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate (CAS 847460-53-1) is a chemical compound with the molecular formula C16H23F3N5O7PS2 and a molecular weight of 549.5 g/mol. IUPAC name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate. InChIKey: KVLRBRZHCOVMNX-IDTAVKCVSA-N.

Identity
Molecular formulaC16H23F3N5O7PS2
Molecular weight549.5 g/mol
IUPAC name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
InChIKeyKVLRBRZHCOVMNX-IDTAVKCVSA-N
SMILESCSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 5'-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-, n-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-5'-adenylic acid, Cangrelor Impurity N1, KVLRBRZHCOVMNX-IDTAVKCVSA-N, 5'-Adenylic acid, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]- (9CI)