IUPAC name
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-3H-purin-6-one
SMILES
NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2
Compound class
Antiviral Agents; Antiinfectives for Systemic Use; Dermatologicals; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors;
Therapeutic area
Used to treat recurrent cold sores on the lips and face from various herpesvirus invections.
Common name
Penciclovir
IUPAC name
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-3H-purin-6-one
SMILES
NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2
INCHI
InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
FORMULA
C10H15N5O3
Common name
Penciclovir
IUPAC name
2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6,9-dihydro-3H-purin-6-one
Molecular weight
253.258
clogP
-0.222
clogS
-1.261
HBond Acceptor
5
HBond Donor
5
Total Polar Surface Area
130.05
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00151 | propane-1,3-diol |
|
C(O)CCO | 0.0045 |
| FDBF00416 | butan-1-ol |
|
C(CC)CO | 0.0134 |
| FDBF00681 | 2-methylpropane-1,3-diol |
|
C(O)C(CO)C | 0.0007 |
| FDBF00682 | 2-ethylpropane-1,3-diol |
|
C(O)C(CO)CC | 0.0003 |
7 ,
1
