Cangrelor Impurity 9

cas: 2353388-08-4 — see every product listed under this CAS number, including other names

Cangrelor Impurity 9 (CAS 2353388-08-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-C010709
cas2353388-08-4
sizeon request
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properties

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Structural formula: {0} (CAS {1})

[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]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphinic acid (CAS 2353388-08-4) is a chemical compound with the molecular formula C33H46Cl2F6N10O18P4S4 and a molecular weight of 1307.8 g/mol. IUPAC name: [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]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphinic acid. InChIKey: MWROSHVXAIMDFF-DWVGVLABSA-N.

Identity
Molecular formulaC33H46Cl2F6N10O18P4S4
Molecular weight1307.8 g/mol
IUPAC name[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]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphinic acid
InChIKeyMWROSHVXAIMDFF-DWVGVLABSA-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)OP(=O)(C(P(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=C(N=C65)SCCC(F)(F)F)NCCSC)O)O)(Cl)Cl)O)O)O

Computed by PubChem (NCBI)

Synonyms: Cangrelor Impurity 9, MWROSHVXAIMDFF-DWVGVLABSA-N