HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide--hydrogen chloride (1/1)
7-Hydroxy Granisetron Hydrochloride · 7-Hydroxy-1-Methyl-N-[(3-endo)-9-Methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxaMide Hydrochloride
![7-Hydroxy-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide--hydrogen chloride (1/1) molecular structure](/img/chemical/71749058.png)
Identifiers & Physical Properties
| CAS No. | 133841-04-0 |
|---|---|
| Molecular formula | C18H25ClN4O2 |
| Average molar mass | 364.9 g/mol |
| Monoisotopic mass | 364.16660372 g/mol |
| SMILES | CN1C2CCCC1CC(NC(=O)c1nn(C)c3c(O)cccc13)C2.Cl |
| InChIKey | MBSNWMLKHVHIJB-UHFFFAOYSA-N |
| PubChem CID | 71749058 |
| DTXSID | DTXSID80857776 |
Chemical & Physical Properties
| Topological polar surface area | 70.4 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 474 |
| Melting point | >220°C (dec.) |
| Storage conditions | -20°C Freezer, Under inert atmosphere |
| Solubility | Methanol (Slightly), Water (Slightly, Sonicated) |
| Physical state | Solid |
| Color | Off-White to Pale Purple |
| GHS pictogram | GHS07 |
| Signal word | warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405 |
Safety & Regulations
| Signal word | warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405 |
Applications & Uses
Uses
Granisetron (G780000) metabolite.