Granisetron
Bezeichnung:Granisetron
CAS-Nr109889-09-0
Englisch Name:Granisetron
CBNumberCB2728852
SummenformelC18H24N4O
Molgewicht312.41
MOL-Datei109889-09-0.mol
Granisetron physikalisch-chemischer Eigenschaften
Siedepunkt | 532.0±40.0 °C(Predicted) |
Dichte | 1.33±0.1 g/cm3(Predicted) |
storage temp. | Inert atmosphere,Room Temperature |
Löslichkeit | 25℃: DMSO |
Aggregatzustand | Powder |
pka | 12.34±0.20(Predicted) |
Farbe | 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@@]([H])(C2)N3C)C2C=CC=CC=2N(C([2H])([2H])[2H])N=1 |&1:4,6,11,r| |