CHEBI:9919 - Valacyclovir hydrochloride

ChEBI IDCHEBI:9919
ChEBI NameValacyclovir hydrochloride
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H20N6O4.HCl
Net Charge0
Average Mass360.802
Monoisotopic Mass360.13128
SMILESCC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)nc21.Cl
InChIInChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
InChIKeyZCDDBUOENGJMLV-QRPNPIFTSA-N
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
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.
anti-HSV agent  An antiviral agent that destroys or inhibits the replication of the herpes simplex virus (also known as the human herpes virus).
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
ChEBI Ontology
Outgoing Relation(s)
Valacyclovir hydrochloride (CHEBI:9919) has role anti-HIV agent (CHEBI:64946)
Valacyclovir hydrochloride (CHEBI:9919) has role anti-HSV agent (CHEBI:64952)
Valacyclovir hydrochloride (CHEBI:9919) has role anti-inflammatory agent (CHEBI:67079)
Valacyclovir hydrochloride (CHEBI:9919) has role antipsychotic agent (CHEBI:35476)
Valacyclovir hydrochloride (CHEBI:9919) has role antiviral agent (CHEBI:22587)
Valacyclovir hydrochloride (CHEBI:9919) has role antiviral drug (CHEBI:36044)
Valacyclovir hydrochloride (CHEBI:9919) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
256UChEMBL
256-U-87 HYDROCHLORIDEChEMBL
256U87 HYDROCHLORIDEChEMBL
BW-256ChEMBL
BW 256U87KEGG COMPOUND
BW-256U87ChEMBL
Brand Names  Source
ValtrexChEMBL
ZelitrexChEMBL
Manual XrefsDatabases
C07184KEGG COMPOUND
D00398KEGG DRUG
Registry NumbersSources
CAS:124832-27-5KEGG COMPOUND
Citations