Ticagrelor Impurity 68

cas: 1643378-46-4 — see every product listed under this CAS number, including other names

Ticagrelor Impurity 68 (CAS 1643378-46-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT81186
cas1643378-46-4
sizeon request
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categoryChemicals
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Structural formula: {0} (CAS {1})

(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (CAS 1643378-46-4) is a chemical compound with the molecular formula C23H29FN6O4S and a molecular weight of 504.6 g/mol. IUPAC name: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol. InChIKey: KILSIJSSKVVFMZ-NGIYPOHESA-N.

Identity
Molecular formulaC23H29FN6O4S
Molecular weight504.6 g/mol
IUPAC name(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIKeyKILSIJSSKVVFMZ-NGIYPOHESA-N
SMILESCCCSC1=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(=CC=C5)F

Computed by PubChem (NCBI)

Synonyms: Ticagrelor Impurity 79, Ticagrelor Impurity 54
Isomers (same molecular formula)
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H29FN6O4S

Also listed as

4-Desfluoro Ticagrelor TRC CAS 1643378-46-4
(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3-Fluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol, 95% Chemat Brand CAS 1643378-46-4