IUPAC name
2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate
SMILES
CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O
Compound class
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors;
Therapeutic area
Valganciclovir is an antiviral medication used for the treatment of cytomegalovirus infections.
Common name
Valganciclovir
IUPAC name
2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate
SMILES
CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O
INCHI
InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1
FORMULA
C14H22N6O5
Common name
Valganciclovir
IUPAC name
2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate
Molecular weight
354.362
clogP
-0.604
clogS
-1.326
HBond Acceptor
7
HBond Donor
6
Total Polar Surface Area
171.37
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00805 | 2-methoxyethanol |
|
C(OC)CO | 0.0072 |
| FDBF01296 | 2-methylpropan-1-amine |
|
NCC(C)C | 0.0017 |
| FDBF01297 | methyl 2-aminoacetate |
|
NCC(=O)OC | 0.0010 |
| FDBF01298 | methyl (2S)-2-amino-3-methyl-butanoate |
|
NC(C(=O)OC)C(C)C | 0.0007 |
| FDBF01299 | 2-hydroxyethyl formate |
|
OCCOC=O | 0.0017 |
