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2D Structure
Also known as:
Molecular Formula
C12H15N5O3
Molecular Weight
277.28  g/mol
InChI Key
QDGZDCVAUDNJFG-FXQIFTODSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one
2.1.2 InChI
InChI=1S/C12H15N5O3/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)/t6-,7-,8-/m0/s1
2.1.3 InChI Key
QDGZDCVAUDNJFG-FXQIFTODSA-N
2.1.4 Canonical SMILES
C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N
2.1.5 Isomeric SMILES
C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2NC(=NC3=O)N
2.2 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 277.28 g/mol
Molecular Formula C12H15N5O3
XLogP3-0.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass277.11748936 g/mol
Monoisotopic Mass277.11748936 g/mol
Topological Polar Surface Area126 A^2
Heavy Atom Count20
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Information
1 of 4  
Drug NameBaraclude
PubMed HealthEntecavir (By mouth)
Drug ClassesAntiviral
Drug LabelBARACLUDE is the tradename for entecavir, a guanosine nucleoside analogue with selective activity against HBV. The chemical name for entecavir is 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one,...
Active IngredientEntecavir
Dosage FormTablet; Solution
RouteOral
Strength0.5mg; 0.05mg/ml; 1mg
Market StatusPrescription
CompanyBristol Myers Squibb

2 of 4  
Drug NameEntecavir
PubMed HealthEntecavir (By mouth)
Drug ClassesAntiviral
Drug LabelBARACLUDE is the tradename for entecavir, a guanosine nucleoside analogue with selective activity against HBV. The chemical name for entecavir is 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one,...
Active IngredientEntecavir
Dosage FormTablet
RouteOral
Strength0.5mg; 1mg
Market StatusPrescription
CompanyTeva Pharms Usa

3 of 4  
Drug NameBaraclude
PubMed HealthEntecavir (By mouth)
Drug ClassesAntiviral
Drug LabelBARACLUDE is the tradename for entecavir, a guanosine nucleoside analogue with selective activity against HBV. The chemical name for entecavir is 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one,...
Active IngredientEntecavir
Dosage FormTablet; Solution
RouteOral
Strength0.5mg; 0.05mg/ml; 1mg
Market StatusPrescription
CompanyBristol Myers Squibb

4 of 4  
Drug NameEntecavir
PubMed HealthEntecavir (By mouth)
Drug ClassesAntiviral
Drug LabelBARACLUDE is the tradename for entecavir, a guanosine nucleoside analogue with selective activity against HBV. The chemical name for entecavir is 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one,...
Active IngredientEntecavir
Dosage FormTablet
RouteOral
Strength0.5mg; 1mg
Market StatusPrescription
CompanyTeva Pharms Usa