CHEBI:63718 - tenofovir disoproxil fumarate

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ChEBI Name tenofovir disoproxil fumarate
Definition A fumarate salt prepared from equimolar amounts of tenofovir disoproxil and fumaric acid. It is used in combination therapy for the treatment of HIV infection.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H34N5O14P
Net Charge 0
Average Mass 635.51490
Monoisotopic Mass 635.18399
InChI InChI=1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1
SMILES OC(=O)\C=C\C(O)=O.CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
Roles Classification
Biological Role(s): HIV-1 reverse transcriptase inhibitor
An entity which inhibits the activity of HIV-1 reverse transcriptase.
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tenofovir disoproxil fumarate (CHEBI:63718) has part tenofovir disoproxil (CHEBI:63717)
tenofovir disoproxil fumarate (CHEBI:63718) has role antiviral drug (CHEBI:36044)
tenofovir disoproxil fumarate (CHEBI:63718) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
tenofovir disoproxil fumarate (CHEBI:63718) has role prodrug (CHEBI:50266)
tenofovir disoproxil fumarate (CHEBI:63718) is a fumarate salt (CHEBI:50921)
bis({[(propan-2-yloxy)carbonyl]oxy}methyl) ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate (2E)-but-2-enedioate
Synonyms Sources
9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate ChemIDplus
tenofovir DF ChEBI
Brand Name Source
Manual Xrefs Databases
DB00300 DrugBank
Tenofovir Wikipedia
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Registry Numbers Types Sources
202138-50-9 CAS Registry Number ChemIDplus
9831556 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12064015 PubMed citation Europe PMC
15482138 PubMed citation Europe PMC
15669881 PubMed citation Europe PMC
18434949 PubMed citation Europe PMC
19372836 PubMed citation Europe PMC
22077579 PubMed citation Europe PMC
22210639 PubMed citation Europe PMC
22928893 PubMed citation Europe PMC
23466649 PubMed citation Europe PMC
Last Modified
03 April 2013