Entecavir hydrate
Bezeichnung:Entecavir hydrate
CAS-Nr209216-23-9
Englisch Name:Entecavir hydrate
CBNumberCB9854927
SummenformelC12H17N5O4
Molgewicht295.3
MOL-Datei209216-23-9.mol
Entecavir hydrate physikalisch-chemischer Eigenschaften
| Schmelzpunkt | >220° |
| alpha | D +35.0° (c = 0.38 in water) |
| Dichte | 1.81 |
| storage temp. | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Methanol (Sparingly), Water (Slightly, Heated, Sonicated) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Merck | 14,3595 |
| InChI | InChI=1/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/s3 |
| InChIKey | YXPVEXCTPGULBZ-UQHDSAJHNA-N |
| SMILES | C=C1[C@@H]([C@@H](O)C[C@@H]1N1C=NC2C(NC(N)=NC1=2)=O)CO.O |&1:2,3,6,r| |
| CAS Datenbank | 209216-23-9(CAS DataBase Reference) |
