Ticagrelor Impurity 146

Impurity reference standard · Ticagrelor

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2D structure · drawn from the SMILES record
CAS number
—
InChIKey
IHABKMWHZSXPID-FNOIDJSQSA-N
Molecular formula
C23H27F2N7O5S
Molecular weight
551.57
Exact mass
551.1762 Da
Parent compoundTicagrelor51 impurities listed Request a quote Search the full catalogue

About Ticagrelor Impurity 146

Ticagrelor Impurity 146 is a specified impurity of Ticagrelor. It has no single publicly registered CAS number, so it is defined by the structure and molecular formula below.

The compound is characterised by its molecular formula C23H27F2N7O5S and a molecular weight of 551.57, with the two-dimensional structure shown above. Because it shares the Ticagrelor scaffold, it is typically used to track process-related and degradation impurities of Ticagrelor during method development, forced degradation and stability studies.

Computed from the structure, the compound has a monoisotopic mass of 551.1762 Da, a calculated LogP of 2.09, a topological polar surface area of 159.08 Ų. It presents 3 hydrogen-bond donors and 11 acceptors. The structure carries 6 defined stereocentres, which is relevant wherever a stereochemically defined standard is required. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.

Each pack ships with a certificate of analysis together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow.

Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.

Calculated properties

Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.

LogP (Crippen)
2.09
Topological polar surface area
159.08 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
38
Rings
5
Defined stereocentres
6
Elemental composition
C 50.08% · F 6.89% · H 4.93% · N 17.78% · O 14.50% · S 5.81%

Frequently asked questions

Does Ticagrelor Impurity 146 come with a certificate of analysis?

Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.

How is Ticagrelor Impurity 146 uniquely identified?

The InChIKey IHABKMWHZSXPID-FNOIDJSQSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.

Is a structure file available for Ticagrelor Impurity 146?

Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.

What pack sizes are available for Ticagrelor Impurity 146?

Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.

Need this standard, or a related one?

Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.