Fluconazole N-Oxide
Impurity reference standard
- CAS number
- 1997296-62-4
- InChIKey
- QEEPILPFZHXTDA-UHFFFAOYSA-N
- Molecular formula
- C13H12F2N6O2
- Molecular weight
- 322.27
- Exact mass
- 322.0990 Da
- Purity
- 95%+
- Appearance
- White to Off-White Solid
- Storage
- 2℃ ~ 8℃
About Fluconazole N-Oxide
Fluconazole N-Oxide is supplied as an analytical reference standard. It is registered under CAS number 1997296-62-4.
The compound is characterised by its molecular formula C13H12F2N6O2 and a molecular weight of 322.27, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 322.0990 Da, a calculated LogP of -0.03, a topological polar surface area of 95.70 Ų. It presents 1 hydrogen-bond donor and 5 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: 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)
- -0.03
- Topological polar surface area
- 95.70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Rings
- 3
- Defined stereocentres
- 1
- Elemental composition
- C 48.45% · F 11.79% · H 3.75% · N 26.08% · O 9.93%
Frequently asked questions
What purity does Fluconazole N-Oxide ship at?
Fluconazole N-Oxide is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Fluconazole N-Oxide 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 Fluconazole N-Oxide uniquely identified?
The InChIKey QEEPILPFZHXTDA-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Fluconazole N-Oxide?
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 Fluconazole N-Oxide?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Fluconazole N-Oxide 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.