HuagongsheHuagongshe Chemistry Print Report · For research reference only
Rizatriptan N-oxide
Rizatriptan N10-Oxide · Rizatriptan N-oxide HCl · Rizatriptan EP Impurity8 · Rizatriptan N-oxide imp-H · Rizatriptan EP Impurity H · Rizatriptan nitrogen oxides · Rizatriptan N-Oxide Impurity · Rizatriptan Benzoate Impurity H

Identifiers & Physical Properties
| CAS No. | 260435-42-5 |
|---|---|
| Molecular formula | C15H19N5O |
| Average molar mass | 285.34 g/mol |
| Monoisotopic mass | 285.15896025 g/mol |
| SMILES | C[N+](C)([O-])CCc1c[nH]c2ccc(Cn3cncn3)cc12 |
| InChIKey | DQTBNOJGXNZYDG-UHFFFAOYSA-N |
| PubChem CID | 10069964 |
| DTXSID | DTXSID60180690 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 64.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 351 |
| Melting point | 153-156°C (dec.) |
| Storage conditions | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| Solubility | Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 16+-.0.30(Predicted) |
| Color | Off-White to Pale Yellow |
| Major applications | pharmaceutical small molecule |
| InChI | 1S/C15H19N5O/c1-20(2,21)6-5-13-8-17-15-4-3-12(7-14(13)15)9-19-11-16-10-18-19/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3 |
| InChIKey | DQTBNOJGXNZYDG-UHFFFAOYSA-N |
| SMILES | [N](=O)(CCc1c2c([nH]c1)ccc(c2)C[n]3ncnc3)(C)C |
| FDA UNII | YNT22B2U4T |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS08 |
| Signal word | Danger |
| GHS hazard statements | H360 |
| GHS precautionary statements | P201-P202-P280-P308+P313-P405-P501 |
| Water hazard class (WGK) | WGK 3 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
|---|---|
| Signal word | Danger |
| GHS pictogram | GHS08 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H360 |
| GHS precautionary statements | P201-P202-P280-P308+P313-P405-P501 |
Applications & Uses
Uses
Rizatriptan N10-Oxide (Rizatriptan EP Impurity H) is a metabolite of Rizatriptan (R545000).