N-Desmethyl Ivabradine
Impurity reference standard
- CAS number
- 215935-23-2
- InChIKey
- NMQMGNXUIKUPAF-HXUWFJFHSA-N
- Molecular formula
- C26H34N2O5
- Molecular weight
- 454.56
- Exact mass
- 454.2468 Da
- Purity
- 95%+
- Appearance
- Pale Brown to Light Brown Solid
- Storage
- -20℃±5℃
About N-Desmethyl Ivabradine
N-Desmethyl Ivabradine is supplied as an analytical reference standard. It is registered under CAS number 215935-23-2.
The compound is characterised by its molecular formula C26H34N2O5 and a molecular weight of 454.56, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 454.2468 Da, a calculated LogP of 2.97, a topological polar surface area of 69.26 Ų. It presents 1 hydrogen-bond donor and 6 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)
- 2.97
- Topological polar surface area
- 69.26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Rings
- 4
- Defined stereocentres
- 1
- Elemental composition
- C 68.70% · H 7.54% · N 6.16% · O 17.60%
Frequently asked questions
What purity does N-Desmethyl Ivabradine ship at?
N-Desmethyl Ivabradine is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does N-Desmethyl Ivabradine 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 N-Desmethyl Ivabradine uniquely identified?
The InChIKey NMQMGNXUIKUPAF-HXUWFJFHSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for N-Desmethyl Ivabradine?
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 N-Desmethyl Ivabradine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should N-Desmethyl Ivabradine 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.