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CHEBI:63716 - tenofovir hydrate

ChEBI IDCHEBI:63716
ChEBI Nametenofovir hydrate
Stars
DefinitionA hydrate that is the monohydrate form of anhydrous tenovir.
Last Modified23 January 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H14N5O4P.H2O
Net Charge0
Average Mass305.231
Monoisotopic Mass305.08891
SMILESC[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O.O
InChIInChI=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
InChIKeyPINIEAOMWQJGBW-FYZOBXCZSA-N
Roles Classification
Biological Roles:
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:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
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  Source
tenofovirChemIDplus
tenofovir.H2OChEBI
tenofovir monohydrateChEBI
Manual XrefsDatabases
D06074KEGG DRUG
Registry NumbersSources
CAS:206184-49-8ChemIDplus