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Chemical Product CAS:142340-99-6Adefovir dipivoxil

CAS:142340-99-6
Adefovir dipivoxil

  • CAS No:

    142340-99-6
  • Name:

    Adefovir dipivoxil
  • Molecular Formula:

    C20H32N5O8P
  • Molecular Weight:

    501.48
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Adefovir dipivoxil ( CASNO:142340-99-6 )

Identification and Related Records
Name:
Adefovir dipivoxil
CAS Registry number:
142340-99-6
Iupac name:
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,
2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl
2,2-dimethylpropanoate
Synonyms:
9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine
Adefovir pivoxil
Bis(POM)-PMEA
Preveon
Propanoic acid,2,2-dimethyl-,[[[2-(6-amino- 9H-purin-9-yl)ethoxy]methyl]phosphinylidene]- bis(oxymethylene) ester
Hepsera (TN)
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine
Adefovir pivoxil (JAN)
Phosphonyl Methoxy Ethyl Adenine
Adefovirdipivoxil
Adefovir dipivoxyl
EINECS(EC#):
200-001-8
Molecular Formula:
C20H32N5O8P
Molecular Weight:
501.48
Inchi:
InChI=1/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)
Canonical SMILES:
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C
Chemical and Physical Properties
Appearance:
It has broad-spectrum antiviral activity
Density:
1.35 g/cm3
Melting Point:
98-102℃
Boiling Point:
641 °C at 760 mmHg
Vapour:
2.52E-16mmHg at 25°C
Refractive Index:
1.569
Flash Point:
641 °C at 760 mmHg
Storage temp:
?20°C
Computed Properties:
Molecular Weight:501.470541 [g/mol]
Molecular Formula:C20H32N5O8P
XLogP3:1.8
H-Bond Donor:1
H-Bond Acceptor:8
Rotatable Bond Count:15
Tautomer Count:3
Exact Mass:501.19885
MonoIsotopic Mass:501.19885
Topological Polar Surface Area:167
Heavy Atom Count:34
Formal Charge:0
Complexity:706
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Cation Count:4
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:15
Conformer Sampling RMSD:1.2
CID Conformer Count:188
Safety and Handling
Hazard Codes:
Xi
Risk Statements:
R20/21/22
Safety Statements:
36/37
Safety:
Safety Information of Adefovir dipivoxil (CAS NO. 142340-99-6):
Hazard Codes: Xn?Harmful
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves
Specification:
? Adefovir dipivoxil?is also called (((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate ; ((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid, diester with hydroxymethyl pivalate ; 9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine ; 9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine ; Adefovir dipivoxil ; GS 840 ; GS-0840 ; Hepsera ; Preveon ; Propanoic acid, 2,2-dimethyl-, (((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) ester ; UNII-U6Q8Z01514 .
Biomedical Effects and Toxicity
Pharmacological Action:
- Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
- Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.
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