cidofovir anhydrous (CHEBI:3696)

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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

Average Mass

279.18700

Monoisotopic Mass

279.06202

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.

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(1−) (CHEBI:134514) cidofovir anhydrous (CHEBI:3696) is conjugate acid of cidofovir(2−) (CHEBI:530615)

Incoming	cidofovir dihydrate (CHEBI:59495) has part cidofovir anhydrous (CHEBI:3696) cidofovir(1−) (CHEBI:134514) is conjugate base of 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

Last Modified

22 February 2017