CAS 209216-23-9

Entecavir monohydrate

Description:

Entecavir monohydrate is an antiviral medication primarily used in the treatment of chronic hepatitis B virus (HBV) infection. It is a nucleoside analogue that functions by inhibiting the reverse transcriptase enzyme, thereby preventing viral replication. The chemical formula for entecavir monohydrate reflects its monohydrate form, which includes one molecule of water associated with each molecule of entecavir. This compound is typically presented as a white to off-white crystalline powder, and it is soluble in water, which facilitates its formulation for oral administration. Entecavir exhibits a high barrier to resistance, making it effective against various HBV strains. Its pharmacokinetics indicate a relatively long half-life, allowing for once-daily dosing. Common side effects may include headache, fatigue, and gastrointestinal disturbances, although it is generally well-tolerated. As with any antiviral therapy, monitoring for potential liver function changes is recommended during treatment. Overall, entecavir monohydrate represents a significant advancement in the management of chronic hepatitis B.

Formula:C₁₂H₁₅N₅O₃·H₂O

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;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1

InChI key:InChIKey=YXPVEXCTPGULBZ-WQYNNSOESA-N

SMILES:C=C1[C@@H](N2C3=C(N=C2)C(=O)N=C(N)N3)C[C@H](O)[C@H]1CO.O

Synonyms:

2-Amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one monohydrate
2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3,9-dihydro-6H-purin-6-one hydrate (1:1)
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-, hydrate (1:1)
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-, monohydrate
Entecavir Monohydrate
Enticavir hydrate