HuagongsheHuagongshe Chemistry Print Report · For research reference only
Granisetron hydrochloride
Kytril-d3 · BRL-43694A-d3 · GRANISETRON-D3 · Granisetron-d3 (N-Methyl-D3 indazole) · 1-Methyl-N-[(3-endo)-9-(methyl-d3)-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
Identifiers & Physical Properties
| CAS No. | 1224925-76-1 |
|---|---|
| Molecular formula | C18H21D3N4O |
| Average molar mass | 315.43 g/mol |
| SMILES | [2H]C([2H])([2H])n1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)N3C)c2ccccc21 |
| InChIKey | MFWNKCLOYSRHCJ-JQHPXDLNNA-N |
Chemical & Physical Properties
| Melting point | 290-292°C |
|---|---|
| Boiling point | 532.016±40.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.330±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Storage conditions | -20°C Freezer |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 12.341±0.20(predicted) |
| Color | White to Off-White |
| InChI | InChI=1/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-/i2D3 |
| InChIKey | MFWNKCLOYSRHCJ-JQHPXDLNNA-N |
| SMILES | C1(C(=O)N[C@H]2C[C@@]3([H])CCC[C@@](N3C)([H])C2)C2C=CC=CC=2N(C([2H])([2H])[2H])N=1 |&1:4,6,11,r| |
| CAS DataBase Reference | 1224925-76-1 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
Applications & Uses
Description
Granisetron-d3 is intended for use as an internal standard for the quantification of granisetron by GC- or LC-MS. Granisetron is an antagonist of the serotonin (5-HT) receptor subtype 5-HT3 (Ki = 3.9 nM) with antiemetic activity.
Uses
Granisetron-d3 is the labeled analogue of Granisetron (G780000), a specific serotonin (5HT3) receptor antagonist. Used as an antiemetic.
Uses
GRANISETRON-D3 is a specific serotonin (5HT3) receptor antagonist,it is Used as an antiemetic.