Ticagrelor Impurity 172

cas: 2417326-48-6 — see every product listed under this CAS number, including other names

Ticagrelor Impurity 172 (CAS 2417326-48-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-T030872
cas2417326-48-6
sizeon request
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Structural formula: {0} (CAS {1})

(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-[(S)-propylsulfinyl]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (CAS 2417326-48-6) is a chemical compound with the molecular formula C23H28F2N6O5S and a molecular weight of 538.6 g/mol. IUPAC name: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-[(S)-propylsulfinyl]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol. InChIKey: DXFXDCXSENDSIK-CJAWFVDQSA-N.

Identity
Molecular formulaC23H28F2N6O5S
Molecular weight538.6 g/mol
IUPAC name(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-[(S)-propylsulfinyl]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIKeyDXFXDCXSENDSIK-CJAWFVDQSA-N
SMILESCCC[S@](=O)C1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F

Computed by PubChem (NCBI)

Synonyms: Ticagrelor Impurity 198
Related forms of this compound
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfinyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O5S
Isomers (same molecular formula)
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-hydroxyamino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O5S