Epinephrine /Adrenaline Impurity 116
Impurity reference standard · Epinephrine /Adrenaline
- CAS number
- —
- InChIKey
- YOLFCZZENGGPIW-UHFFFAOYSA-N
- Molecular formula
- C9H12N2O6S
- Molecular weight
- 276.27
- Exact mass
- 276.0416 Da
About Epinephrine /Adrenaline Impurity 116
Epinephrine /Adrenaline Impurity 116 is a specified impurity of Epinephrine /Adrenaline. It has no single publicly registered CAS number, so it is defined by the structure and molecular formula below.
The compound is characterised by its molecular formula C9H12N2O6S and a molecular weight of 276.27, with the two-dimensional structure shown above. Because it shares the Epinephrine /Adrenaline scaffold, it is typically used to track process-related and degradation impurities of Epinephrine /Adrenaline during method development, forced degradation and stability studies.
Computed from the structure, the compound has a monoisotopic mass of 276.0416 Da, a calculated LogP of 0.64, a topological polar surface area of 127.50 Ų. It presents 3 hydrogen-bond donors 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 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.
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)
- 0.64
- Topological polar surface area
- 127.50 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Rings
- 1
- Defined stereocentres
- 1
- Elemental composition
- C 39.13% · H 4.38% · N 10.14% · O 34.75% · S 11.61%
Frequently asked questions
Does Epinephrine /Adrenaline Impurity 116 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 Epinephrine /Adrenaline Impurity 116 uniquely identified?
The InChIKey YOLFCZZENGGPIW-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 Epinephrine /Adrenaline Impurity 116?
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 Epinephrine /Adrenaline Impurity 116?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
Other Epinephrine /Adrenaline impurities
The same parent compound, neighbouring impurity numbers.
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.