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CHEBI:59495 - cidofovir dihydrate

ChEBI IDCHEBI:59495
ChEBI Namecidofovir dihydrate
Stars
DefinitionThe dihydrate of the anhydrous form of cidofovir. A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients.
Last Modified17 May 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H14N3O6P.2H2O
Net Charge0
Average Mass315.219
Monoisotopic Mass315.08315
SMILESNc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1.O.O
InChIInChI=1S/C8H14N3O6P.2H2O/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);2*1H2/t6-;;/m0../s1
InChIKeyFPKARFMSZDBYQF-ILKKLZGPSA-N
Roles Classification
Biological Role:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Applications:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cidofovir dihydrate (CHEBI:59495) has part cidofovir anhydrous (CHEBI:3696)
cidofovir dihydrate (CHEBI:59495) has role antineoplastic agent (CHEBI:35610)
cidofovir dihydrate (CHEBI:59495) has role antiviral drug (CHEBI:36044)
cidofovir dihydrate (CHEBI:59495) is a hydrate (CHEBI:35505)
IUPAC Name 
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid—water (1/2)
INN  Source
cidofovirChemIDplus
Synonyms  Source
(((S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)phosphonic acid, dihydrateChemIDplus
1-((S)-3-hydroxy-2-(phosphonomethoxy)propyl)cytosine dihydrateChemIDplus
cidofovir hydrateChemIDplus
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrateIUPAC
Manual XrefsDatabases
DB00369DrugBank
D00273KEGG DRUG
EP253412Patent
US5142051Patent
Registry NumbersSources
CAS:149394-66-1ChemIDplus