Pregabalin-d4
Impurity reference standard
- CAS number
- 1276197-54-6
- InChIKey
- AYXYPKUFHZROOJ-LCCDPTQESA-N
- Molecular formula
- C8H13D4NO2
- Molecular weight
- 163.25
- Exact mass
- 163.1510 Da
- Purity
- 95%+
- Appearance
- White to Off-White Solid
- Storage
- -20℃±5℃
About Pregabalin-d4
Pregabalin-d4 is supplied as an analytical reference standard. It is registered under CAS number 1276197-54-6.
The compound is characterised by its molecular formula C8H13D4NO2 and a molecular weight of 163.25, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 163.1510 Da, a calculated LogP of 1.08, a topological polar surface area of 63.32 Ų. It presents 2 hydrogen-bond donors and 2 acceptors. The structure carries 1 defined stereocentre, 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 reporting purity of 95%+ 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. Recommended storage: -20℃±5℃.
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)
- 1.08
- Topological polar surface area
- 63.32 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Rings
- 0
- Defined stereocentres
- 1
Frequently asked questions
What purity does Pregabalin-d4 ship at?
Pregabalin-d4 is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Pregabalin-d4 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 Pregabalin-d4 uniquely identified?
The InChIKey AYXYPKUFHZROOJ-LCCDPTQESA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Pregabalin-d4?
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 Pregabalin-d4?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Pregabalin-d4 be stored?
Recommended storage: -20℃±5℃.
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.