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Chemical structure of Deshydroxyethoxy Ticagrelor-d7

GC71587

Deshydroxyethoxy Ticagrelor-d7

Also known as (1S,2R,3S,4R)-4-[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]cyclopentane-1,2,3-triol

Deshydroxyethoxy Ticagrelor-d7 is deuterium labeled AR-C 124910XX

ChemicalCAS2734919-83-4MW485.56FormulaC21H17D7F2N6O3S
CAS number
2734919-83-4
Molecular weight
485.56
Formula
C21H17D7F2N6O3S
InChIKey
XYLIQTKEYHWYGG-KBABNUDRSA-N
Catalogue number
GC71587
Brand
GLPBIO
Computed properties PubChem CID 76974349 · XLogP 2.2 · TPSA 155 Ų · H-bond donors 4
XLogP
2.2
TPSA
155 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
33

SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F

Computed descriptors from PubChem (CID 76974349), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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