Primary record
Entecavir
- CAS
- 209216-23-9
- PubChem CID
- 45074618
- SMILES
- C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3C2=NC(=NC3=O)N.O
- Molecular Formula
- C12H17N5O4
- Molecular Weight
- 295.299
- Exact Mass
- 295.1281
- InChI
- InChI=1S/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;/h4,6-9,18-19H,1-3H2,(H2,13,16,20);1H2/t6-,7-,8-,9?;/m0./s1
- InChIKey
- NLLUQCWSFISXII-LOSJATCRSA-N
- LogP
- -2.5745
- TPSA
- 155.37
Names and synonyms
- Entecavir
- Entecavir hydrate
- ST24030415
- 209216-23-9
- 142217-69-4
- 2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one monohydrate