Products 163706-57-8

CAS 163706-57-8 is the registry number for Cangrelor Impurity 12. Offered by: Chemat Brand. Available pack sizes: on request.

Cangrelor Impurity 12
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(2R,3R,4R,5R)-5-[6-[acetyl(2-methylsulfanylethyl)amino]-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-3,4-diacetyloxyoxolan-2-yl]methyl acetate (CAS 163706-57-8) is a chemical compound with the molecular formula C24H30F3N5O8S2 and a molecular weight of 637.7 g/mol. IUPAC name: [(2R,3R,4R,5R)-5-[6-[acetyl(2-methylsulfanylethyl)amino]-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-3,4-diacetyloxyoxolan-2-yl]methyl acetate. InChIKey: XPSVMYGHHCBFMJ-WGQQHEPDSA-N.

Identity
Molecular formulaC24H30F3N5O8S2
Molecular weight637.7 g/mol
IUPAC name[(2R,3R,4R,5R)-5-[6-[acetyl(2-methylsulfanylethyl)amino]-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-3,4-diacetyloxyoxolan-2-yl]methyl acetate
InChIKeyXPSVMYGHHCBFMJ-WGQQHEPDSA-N
SMILESCC(=O)N(CCSC)C1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)SCCC(F)(F)F

Computed by PubChem (NCBI)

Synonyms: Cangrelor Impurity 4, XPSVMYGHHCBFMJ-WGQQHEPDSA-N