恩替卡韦

Description

entecavir · CAS 142217-69-4 · C12H15N5O3. UNII NNU2O4609D. Solubility: 6.59e+00 g/L; LogP: -0.8.

Identification

CAS Registry Number	142217-69-4
PubChem CID	135398508
Molecular formula	C12H15N5O3
IUPAC name	2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
UNII (FDA)	NNU2O4609D

Computed Descriptors

Molecular Weight	277.28
XLogP3	-1.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	277.11748936
Monoisotopic Mass	277.11748936
Topological Polar Surface Area	126
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Solubility	6.59e+00 g/L
LogP	-0.8

Physical description & handling notes

• Solid
• White to off white powder
• Slightly soluble (2.4 mg/mL at pH 7.9, 25 °C)
• In water, 2.4X10+3 mg/L, temp not specified
• pH = 7.9 in a saturated solution of water at 25 °C
• White to off-white powder, mp: >220 °C. Specific optical rotation: +35 deg at 25 °C/D (c = 0.38 in water). Solubility in water: 2.4 mg/mL. pH of saturated solution in water is 7.9 at 25 °C /Entecavir monohydrate/

Documented Uses

• Preparation: R. Zahler, W. A. Slusarchyk, European Patent Office 481754; eidem, United States of America patent 5206244 (1992, 1993 both to Squibb)
• For the treatment of chronic hepatitis B virus infection in adults with evidence of active viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease.
• Entecavir is a guanosine nucleoside analogue used in the treatment of chronic hepatitis B virus (HBV) infection. Entecavir therapy can be associated with flares of the underlying hepatitis B during or after therapy, but has not been linked to cases of clinically apparent liver injury.
• Breast Feeding; Lactation; Antiviral Agents
• Medicines for hepatitis B > Nucleoside/Nucleotide reverse transcriptase inhibitors
• (1) Oral - Liquid: 0.05 mg per mL; (2) Oral - Solid: 0.5 mg; 1 mg

Synonyms

Entecavir; 142217-69-4; Baraclude; anhydrous entecavir; Entecavir anhydrous; BMS 200475; BMS-200475; entecavir (anhydrous); DTXSID4046446; NNU2O4609D; CHEBI:473990; DTXCID2026446; SQ-34676; 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-; 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-

Frequently Asked Questions

What are the CAS number and molecular formula of entecavir?

CAS 142217-69-4; molecular formula C12H15N5O3; molecular weight — g/mol.

What other names is entecavir known by?

Entecavir, 142217-69-4, Baraclude, anhydrous entecavir, Entecavir anhydrous, BMS 200475.

What are the key physical properties of entecavir?

Solubility: 6.59e+00 g/L; LogP: -0.8.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.