CHEBI:59495 - cidofovir dihydrate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name cidofovir dihydrate ChEBI ID CHEBI:59495 Definition The 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H18N3O8P Net Charge 0 Average Mass 315.21760 Monoisotopic Mass 315.08315 InChI InChI=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 InChIKey FPKARFMSZDBYQF-ILKKLZGPSA-N SMILES O.O.Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 Roles Classification Biological Role(s): antiviral drug A substance used in the prophylaxis or therapy of virus diseases. Application(s): 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. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 cidofovir ChemIDplus Synonyms Sources (((S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)phosphonic acid, dihydrate ChemIDplus ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrate IUPAC 1-((S)-3-hydroxy-2-(phosphonomethoxy)propyl)cytosine dihydrate ChemIDplus cidofovir hydrate ChemIDplus Manual Xrefs Databases D00273 KEGG DRUG DB00369 DrugBank EP253412 Patent US5142051 Patent View more database links Registry Number Type Source 149394-66-1 CAS Registry Number ChemIDplus Last Modified 17 May 2010