N-Oxo Samidorphan
Impurity reference standard
- CAS number
- 2098343-52-1
- InChIKey
- VRHNXRCNSCXAEJ-LFZLRJNPSA-N
- Molecular formula
- C21H26N2O5
- Molecular weight
- 386.44
- Exact mass
- 386.1842 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About N-Oxo Samidorphan
N-Oxo Samidorphan is supplied as an analytical reference standard. It is registered under CAS number 2098343-52-1.
The compound is characterised by its molecular formula C21H26N2O5 and a molecular weight of 386.44, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 386.1842 Da, a calculated LogP of 1.27, a topological polar surface area of 123.68 Ų. It presents 3 hydrogen-bond donors and 5 acceptors. The structure carries 4 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 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: 2℃ ~ 8℃.
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)
- 1.27
- Topological polar surface area
- 123.68 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Rings
- 5
- Defined stereocentres
- 4
- Elemental composition
- C 65.27% · H 6.78% · N 7.25% · O 20.70%
Frequently asked questions
What purity does N-Oxo Samidorphan ship at?
N-Oxo Samidorphan is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does N-Oxo Samidorphan 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-Oxo Samidorphan uniquely identified?
The InChIKey VRHNXRCNSCXAEJ-LFZLRJNPSA-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-Oxo Samidorphan?
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-Oxo Samidorphan?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should N-Oxo Samidorphan be stored?
Recommended storage: 2℃ ~ 8℃.
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.