Search MNXref
 Feedback

valacyclovir

PropertiesImage
MNX_IDMNXM22417 Image of MNXM22417
referencechebi:233453
formulaC13H21N6O4
global charge1
mol weight325.349
InChIKeyHDOVUKNUBWVHOX-QMMMGPOBSA-O
InChIInChI=1S/C13H20N6O4/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)/p+1/t8-/m0/s1
SMILESCC(C)[C@H]([NH3+])C(=O)OCCOCN1C=NC2=C1N=C(N)NC2=O
MNX internals
InChI (mnx)InChI=1/C13H20N6O4/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)/t8-/m0/s1 Image of MNXM22417
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[C@@H:8]([C:12](=[O:21])[O:23][CH2:4][CH2:3][O:22][CH2:6][N:19]1[CH:5]=[N:16][C:9]2=[C:10]1[NH:17][C:13](=[NH:15])[N:18]=[C:11]2[OH:20])[NH2:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:233453
chebi:233453
HDOVUKNUBWVHOX-QMMMGPOBSA-O 		valacyclovir
valacyclovir(1+)

kegg.drug:D08664
keggD:D08664
HDOVUKNUBWVHOX-QMMMGPOBSA-N 		Valaciclovir (INN)
Valacyclovir
Valtrex (TN)
hmdb:HMDB0014716
HDOVUKNUBWVHOX-QMMMGPOBSA-N 		Valaciclovir
2-((2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl L-valinate
2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
Acyclovir, L-valyl ester
L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester
L-Valylacyclovir
Valacyclover hydrochloric
Valacyclovir
Valacyclovir hydrochloride
Valacyclovir hydrochloride, (DL)-isomer
Valacyclovir, (D)-isomer
Valacyclovir, (DL)-isomer
Valacyclovir, (L)-isomer
Valacyclovir, X-hydrochloride, (D)-isomer
Valacyclovir, X-hydrochloride, (DL)-isomer
Valtrex
valtrex

sabiork.compound:9299
sabiorkM:9299
HDOVUKNUBWVHOX-QMMMGPOBSA-N 		Valacyclovir
BW 256U87
Valacyclovir hydrochloride

reactome:R-ALL-6784964
reactomeM:R-ALL-6784964
CHEBI:35854
chebi:35854
HDOVUKNUBWVHOX-QMMMGPOBSA-N 		valacyclovir
2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester

hmdb:HMDB14716
keggD:M_D08664 		secondary/obsolete/fantasy identifier