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Adefovir Dipivoxil

CAT: 0572-TRC-A280465-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A280465-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
142340-99-6
Synonyms
1,1'-[[[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphinylidene]bis(oxymethylene)] 2,2-dimethyl-Propanoic acid ester; Propanoic acid, 2,2-dimethyl-, [[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphinylidene]bis(oxymethylene) ester (9CI); Adefovir dipivoxil; GS 0840; Hepsera; Preveon; bis(POM)-PMEA
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C
Molecular Formula
C20 H32 N5 O8 P
Molecular Weight
501.47
InChI
InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)
Additionnal Information
IUPAC name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Adefovir Dipivoxil

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.

CAS Number142340-99-6
PubChem CID60871
IUPAC Name[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Molecular FormulaC20H32N5O8P
Molecular Weight501.5
XLogP1.8
Topological Polar Surface Area167
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count34
Formal Charge0
Complexity705
SMILES
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)
InChIKey
WOZSCQDILHKSGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adefovir Dipivoxil
CAS: 142340-99-6
CID: 60871
Formula: C20H32N5O8P
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass501.19884999
Monoisotopic Mass501.19884999
Topological Polar Surface Area167 Ų
Heavy Atom Count34
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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