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CHEBI:31175 - adefovir pivoxil
| Formula | C20H32N5O8P |
| Net Charge | 0 |
| Average Mass | 501.477 |
| Monoisotopic Mass | 501.19885 |
| SMILES | CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)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 |
| Roles Classification |
|---|
| Biological Roles: | nephrotoxic agent A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. DNA synthesis inhibitor Any substance that inhibits the synthesis of DNA. HIV-1 reverse transcriptase inhibitor An entity which inhibits the activity of HIV-1 reverse transcriptase. |
| Applications: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| adefovir pivoxil (CHEBI:31175) has functional parent adefovir (CHEBI:2469) |
| adefovir pivoxil (CHEBI:31175) has role antiviral drug (CHEBI:36044) |
| adefovir pivoxil (CHEBI:31175) has role DNA synthesis inhibitor (CHEBI:59517) |
| adefovir pivoxil (CHEBI:31175) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756) |
| adefovir pivoxil (CHEBI:31175) has role nephrotoxic agent (CHEBI:50909) |
| adefovir pivoxil (CHEBI:31175) has role prodrug (CHEBI:50266) |
| adefovir pivoxil (CHEBI:31175) is a 6-aminopurines (CHEBI:20706) |
| adefovir pivoxil (CHEBI:31175) is a carbonate ester (CHEBI:46722) |
| adefovir pivoxil (CHEBI:31175) is a ether (CHEBI:25698) |
| adefovir pivoxil (CHEBI:31175) is a organic phosphonate (CHEBI:37592) |
| IUPAC Name |
|---|
| ({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxymethanediyl) bis(2,2-dimethylpropanoate) |
| Synonyms | Source |
|---|---|
| (((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate | ChemIDplus |
| 9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine | HMDB |
| 9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine | ChemIDplus |
| Adefovir dipivoxil | KEGG DRUG |
| GS 0840 | ChemIDplus |
| GS-0840 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 88 | DrugCentral |
| D01655 | KEGG DRUG |
| DB00718 | DrugBank |
| HMDB0014856 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:29413415 | Reaxys |
| CAS:142340-99-6 | ChemIDplus |
| CAS:142340-99-6 | KEGG DRUG |
| Citations |
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