CHEBI:9919 - Valacyclovir hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Valacyclovir hydrochloride
ChEBI ID CHEBI:9919
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H20N6O4.HCl
Net Charge 0
Average Mass 360.800
Monoisotopic Mass 360.13128
InChI InChI=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
InChIKey ZCDDBUOENGJMLV-QRPNPIFTSA-N
SMILES Cl.CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O
ChEBI Ontology
Outgoing Valacyclovir hydrochloride (CHEBI:9919) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
BW 256U87 KEGG COMPOUND
Valacyclovir KEGG COMPOUND
Valacyclovir hydrochloride KEGG COMPOUND
Manual Xrefs Databases
C07184 KEGG COMPOUND
D00398 KEGG DRUG
View more database links
Registry Number Type Source
124832-27-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014