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CHEBI:3696 - cidofovir anhydrous

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ChEBI Name cidofovir anhydrous
ChEBI ID CHEBI:3696
Definition Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). 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.
Secondary ChEBI IDs CHEBI:666483, CHEBI:148701
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Formula C8H14N3O6P
Net Charge 0
Average Mass 279.18700
Monoisotopic Mass 279.062
InChI InChI=1S/C8H14N3O6P/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)/t6-/m0/s1
InChIKey VWFCHDSQECPREK-LURJTMIESA-N
SMILES Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1
Roles Classification
Biological Role(s): anti-HIV agent
An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application(s): photosensitizing agent
A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
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 anhydrous (CHEBI:3696) has role anti-HIV agent (CHEBI:64946)
cidofovir anhydrous (CHEBI:3696) has role antineoplastic agent (CHEBI:35610)
cidofovir anhydrous (CHEBI:3696) has role antiviral drug (CHEBI:36044)
cidofovir anhydrous (CHEBI:3696) has role photosensitizing agent (CHEBI:47868)
cidofovir anhydrous (CHEBI:3696) is a phosphonic acids (CHEBI:26069)
cidofovir anhydrous (CHEBI:3696) is a pyrimidone (CHEBI:38337)
cidofovir anhydrous (CHEBI:3696) is conjugate acid of cidofovir(2−) (CHEBI:530615)
Incoming cidofovir dihydrate (CHEBI:59495) has part cidofovir anhydrous (CHEBI:3696)
cidofovir(2−) (CHEBI:530615) is conjugate base of cidofovir anhydrous (CHEBI:3696)
IUPAC Name
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
Synonyms Sources
(S)-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-hydroxypropan-2-yloxy)methylphosphonic acid ChEMBL
(S)-1-(3-hydroxy-2-phosphonomethoxypropyl)cytosine ChemIDplus
(S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine ChEMBL
(S)-1-[3-hydroxy-2-(phosphonylmethoxy)propyl]cytosine ChEMBL
(S)-HPMPC ChemIDplus
1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine ChEMBL
1-[(S)-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine ChEMBL
[(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-hydroxymethyl-ethoxymethyl]-phosphonic acid ChEMBL
CDV DrugBank
cidofovir ChEMBL
Cidofovir KEGG COMPOUND
Cidofovir anhydrous KEGG COMPOUND
Database Links Databases
C06909 KEGG COMPOUND
Cidofovir Wikipedia
DB00369 DrugBank
EP253412 Patent
US5142051 Patent
View more database links
Registry Numbers Types Sources
113852-37-2 CAS Registry Number KEGG COMPOUND
113852-37-2 CAS Registry Number ChemIDplus
5080484 Beilstein Registry Number Beilstein
Last Modified
28 July 2014