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CHEBI:59495 - cidofovir dihydrate

Default Structure
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
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
Applications:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
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.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
cidofovir dihydrate (CHEBI:59495) has part cidofovir anhydrous (CHEBI:3696)
cidofovir dihydrate (CHEBI:59495) has role anti-HIV agent (CHEBI:64946)
cidofovir dihydrate (CHEBI:59495) has role antiinfective agent (CHEBI:35441)
cidofovir dihydrate (CHEBI:59495) has role antineoplastic agent (CHEBI:35610)
cidofovir dihydrate (CHEBI:59495) has role antiviral agent (CHEBI:22587)
cidofovir dihydrate (CHEBI:59495) has role antiviral drug (CHEBI:36044)
cidofovir dihydrate (CHEBI:59495) has role renoprotective agent (CHEBI:231911)
cidofovir dihydrate (CHEBI:59495) is a 9,11,15-octadecatrienoic acid (CHEBI:38387)
cidofovir dihydrate (CHEBI:59495) is a hydrate (CHEBI:35505)
cidofovir dihydrate (CHEBI:59495) is a organic molecular entity (CHEBI:50860)
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
1-((S)-3-hydroxy-2-(phosphonomethoxy)propyl)cytosine dihydrateChemIDplus
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrateIUPAC
cidofovirChEMBL
cidofovir hydrateChemIDplus
GS-0504ChEMBL
Hpmpc dihydrateChEMBL
Manual XrefsDatabases
D00273KEGG DRUG
DB00369DrugBank
EP253412Patent
US5142051Patent
Registry NumbersSources
CAS:149394-66-1ChemIDplus
Citations