HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[(3-endo)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide hydrochloride (1:1)
Granisetron Related CoMpound C · Nitroxynil Impurity 4 · Granisetron EP Impurity · Granisetron Impurity C HCl · Granisetron USP Related Compound C · Granisetron EP Impurity C Hydrochloride · N-Demethyl-endo-granisetron hydrochloride · 9-DesMethyl endo-Granisetron Hydrochloride
![N-[(3-endo)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide hydrochloride (1:1) molecular structure](/img/chemical/131700173.png)
Identifiers & Physical Properties
| CAS No. | 141136-01-8 |
|---|---|
| Molecular formula | C17H23ClN4O |
| Average molar mass | 334.8 g/mol |
| SMILES | Cl.Cn1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3)c2ccccc21 |
| InChIKey | BPROKMWVNUWVSC-LUNMCBQDSA-N |
| PubChem CID | 131700173 |
| EC No. | 111-034-1 |
Chemical & Physical Properties
| Topological polar surface area | 59 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 417 |
| Melting point | >150°C (dec.) |
| Storage conditions | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| Stability | Hygroscopic |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| Customs code | 2933399090 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Customs code | 2933399090 |
Applications & Uses
Uses
9-Desmethyl endo-Granisetron hydrochloride (Granisetron USP Related Compound C) is an impurity in the synthesis of Granisetron HCl (G780000), a specific serotonin (5HT3) receptor antagonist. Used as an antiemetic.