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Chemical structure of Entecavir Hydrate

GC16092

Entecavir Hydrate

Also known as 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate

Entecavir Hydrate (BMS200475 monohydrate; SQ34676 monohydrate) is a potent and selective inhibitor of HBV, with an EC50 of 3·75 nM in HepG2 cell

ChemicalCAS209216-23-9MW295.29FormulaC12H15N5O3·H2O
CAS number
209216-23-9
Molecular weight
295.29
Formula
C12H15N5O3·H2O
Solubility
≥ 9·7mg/mL in DMSO
InChIKey
YXPVEXCTPGULBZ-WQYNNSOESA-N
Catalogue number
GC16092
Brand
GLPBIO
Computed properties PubChem CID 135526609 · TPSA 127 Ų · H-bond donors 5 · H-bond acceptors 6
TPSA
127 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
21

SMILES C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N.O

Computed descriptors from PubChem (CID 135526609), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.