CHEBI:63716 - tenofovir hydrate

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ChEBI Name tenofovir hydrate
ChEBI ID CHEBI:63716
Definition A hydrate that is the monohydrate form of anhydrous tenovir.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB1855342
Download Molfile XML SDF
Formula C9H16N5O5P
Net Charge 0
Average Mass 305.22760
Monoisotopic Mass 305.08891
InChI InChI=1S/C9H14N5O4P.H2O/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);1H2/t6-;/m1./s1
InChIKey PINIEAOMWQJGBW-FYZOBXCZSA-N
SMILES O.C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
HIV-1 reverse transcriptase inhibitor
An entity which inhibits the activity of HIV-1 reverse transcriptase.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tenofovir hydrate (CHEBI:63716) has part tenofovir (anhydrous) (CHEBI:63625)
tenofovir hydrate (CHEBI:63716) has role antiviral drug (CHEBI:36044)
tenofovir hydrate (CHEBI:63716) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
tenofovir hydrate (CHEBI:63716) is a hydrate (CHEBI:35505)
IUPAC Name
({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid—water (1/1)
Synonyms Sources
tenofovir ChemIDplus
tenofovir monohydrate ChEBI
tenofovir.H2O ChEBI
Manual Xref Database
D06074 KEGG DRUG
View more database links
Registry Number Type Source
206184-49-8 CAS Registry Number ChemIDplus
Last Modified
23 January 2012