Itraconazole-d5(major)
Impurity reference standard
- CAS number
- 1217510-38-7
- InChIKey
- VHVPQPYKVGDNFY-VXTATNQMSA-N
- Molecular formula
- C35H33D5Cl2N8O4
- Molecular weight
- 710.66
- Exact mass
- 709.2707 Da
- Purity
- 95%+
- Appearance
- Off-white Solid
- Storage
- -20℃±5℃
About Itraconazole-d5(major)
Itraconazole-d5(major) is supplied as an analytical reference standard. It is registered under CAS number 1217510-38-7.
The compound is characterised by its molecular formula C35H33D5Cl2N8O4 and a molecular weight of 710.66, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 709.2707 Da, a calculated LogP of 5.58, a topological polar surface area of 104.70 Ų. It presents 0 hydrogen-bond donors and 9 acceptors. The structure carries 3 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: -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)
- 5.58
- Topological polar surface area
- 104.70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Rings
- 7
- Defined stereocentres
- 3
Frequently asked questions
What purity does Itraconazole-d5(major) ship at?
Itraconazole-d5(major) is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Itraconazole-d5(major) 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 Itraconazole-d5(major) uniquely identified?
The InChIKey VHVPQPYKVGDNFY-VXTATNQMSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Itraconazole-d5(major)?
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 Itraconazole-d5(major)?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Itraconazole-d5(major) 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.