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CHEBI:465284 - ganciclovir

ChEBI IDCHEBI:465284
ChEBI Nameganciclovir
Stars
DefinitionAn oxopurine that is guanine substituted by a [(1,3-dihydroxypropan-2-yl)oxy]methyl group at position 9. Ganciclovir is an antiviral drug used to treat or prevent AIDS-related cytomegalovirus infections.
Secondary ChEBI IDsCHEBI:5273, CHEBI:42659
Last Modified22 February 2017
DownloadsMolfile
FormulaC9H13N5O4
Net Charge0
Average Mass255.234
Monoisotopic Mass255.09675
SMILESNc1nc(=O)c2ncn(COC(CO)CO)c2n1
InChIInChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChIKeyIRSCQMHQWWYFCW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
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.
ChEBI Ontology
Outgoing Relation(s)
ganciclovir (CHEBI:465284) has functional parent guanine (CHEBI:16235)
ganciclovir (CHEBI:465284) has role antiinfective agent (CHEBI:35441)
ganciclovir (CHEBI:465284) has role antiviral drug (CHEBI:36044)
ganciclovir (CHEBI:465284) is a 2-aminopurines (CHEBI:20702)
ganciclovir (CHEBI:465284) is a oxopurine (CHEBI:25810)
Incoming Relation(s)
valganciclovir (CHEBI:63635) has functional parent ganciclovir (CHEBI:465284)
IUPAC Name 
2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-1,9-dihydro-6H-purin-6-one
INN  Source
ganciclovirKEGG DRUG
Synonyms  Source
GanciclovirKEGG COMPOUND
9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEPDBeChem
GA2DrugBank
2-Amino-9-(2-hydroxy-1-hydroxymethyl-ethoxymethyl)-1,9-dihydro-purin-6-oneChEMBL
2-amino-9-((1,3-dihydroxypropan-2-yloxy)methyl)-1H-purin-6(9H)-oneChEMBL
9-[(1,3-dihydroxy-2-propoxy)methyl]guanineChEMBL
Manual XrefsDatabases
GA2PDBeChem
D00333KEGG DRUG
DB01004DrugBank
US4355032Patent
GanciclovirWikipedia
HMDB0015139HMDB
LSM-5382LINCS
1277DrugCentral
Registry NumbersSources
Beilstein:3654487Beilstein
Reaxys:3654487Reaxys
CAS:82410-32-0KEGG COMPOUND
CAS:82410-32-0KEGG DRUG
CAS:82410-32-0DrugBank
CAS:82410-32-0ChemIDplus
Citations