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Chemical structure of Deshydroxyethoxy ticagrelor

GC26866

Deshydroxyethoxy ticagrelor

Also known as (1S,2R,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol

Deshydroxyethoxy ticagrelor (AR-C124910) is a metabolite of Ticagrelor (HY-10064) with antimicrobial and antiplatelet activities against MRSA

ChemicalCAS220347-05-7MW478.52FormulaC21H24F2N6O3S
CAS number
220347-05-7
Molecular weight
478.52
Formula
C21H24F2N6O3S
InChIKey
XYLIQTKEYHWYGG-XUNGLMTJSA-N
Catalogue number
GC26866
Brand
GLPBIO
Computed properties PubChem CID 49846084 · 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 CCCSC1=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 49846084), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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