Ticagrelor Related Compound 16

cas: 2096989-56-7 — see every product listed under this CAS number, including other names

Ticagrelor Related Compound 16 (CAS 2096989-56-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberULT8131
cas2096989-56-7
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Structural formula: {0} (CAS {1})

(1S,2S,3R,5S)-3-[7-[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol (CAS 2096989-56-7) is a chemical compound with the molecular formula C23H28F2N6O4S and a molecular weight of 522.6 g/mol. IUPAC name: (1S,2S,3R,5S)-3-[7-[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol. InChIKey: OEKWJQXRCDYSHL-KCODXIBCSA-N.

Identity
Molecular formulaC23H28F2N6O4S
Molecular weight522.6 g/mol
IUPAC name(1S,2S,3R,5S)-3-[7-[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChIKeyOEKWJQXRCDYSHL-KCODXIBCSA-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(=C(C=C5)F)F

Computed by PubChem (NCBI)

Synonyms: Ticagrelor Impurity, Ticagrelor Impurity C (Ticagrelor Isomer 3), starbld0009799, orb3181245
Related forms of this compound
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S
(1R,2R,3S,5R)-3-[7-[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S
(1S,2S,3R,5S)-3-[7-[[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S
(1R,2R,3S,5R)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S
(1S,2S,3R,5S)-3-[7-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(1,1,2,2,3,3,3-heptadeuteriopropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S
Isomers (same molecular formula)
(1S,2S,3R,5S)-3-[[3-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-7-yl]amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol C23H28F2N6O4S

Also listed as

(1S,2R)-Ticagrelor, >95% (HPLC) TRC CAS 2096989-56-7
(1S,2S,3R,5S)-3-(7-(((1S,2R)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-h ydroxyethoxy)cyclopentane-1,2-diol Biosynth CAS 2096989-56-7
Ticagrelor impurity 16, 99.51% MedChemExpress CAS 2096989-56-7