Molecular Identity
Adefovir Dipivoxil
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
PubChem CID: 60871
Adefovir pivoxil is an organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection. It has a role as an antiviral drug, a prodrug, a nephrotoxic agent, a HIV-1 reverse transcriptase inhibitor and a DNA synthesis inhibitor. It is a member of 6-aminopurines, an ether, an organic phosphonate and a carbonate ester. It is functionally related to an adefovir.
2D Structure
Properties
C20H32N5O8P
Molecular Formula
501.50
Molecular Weight
g/mol
501.1988
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
167
TPSA
May have limited oral absorption
1
H-Bond Donors
12
H-Bond Acceptors
705
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)CIsomeric SMILES
SMILES: CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)CSynonyms(20)
ADEFOVIR DIPIVOXIL142340-99-6HepseraAdefovir pivoxilGS-0840GS 0840DTXSID5046487Adefovir di(pivaloyloxymethyl) ester9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine(((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoateU6Q8Z01514Propanoic acid, 2,2-dimethyl-, (((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) esterDTXCID3026487CHEBI:31175
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Adefovir Dipivoxil
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