IUPAC name
({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
SMILES
NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1
Compound class
Antineoplastic Agents; Antiviral Agents; Anti-HIV Agents; Radiation-Sensitizing Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors;
Therapeutic area
For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS).
Common name
Cidofovir
IUPAC name
({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
SMILES
NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1
INCHI
InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
FORMULA
C8H14N3O6P
Common name
Cidofovir
IUPAC name
({[(2S)-1-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid
Molecular weight
279.187
clogP
-2.410
clogS
0.633
HBond Acceptor
7
HBond Donor
5
Total Polar Surface Area
147.9
Number of Rings
1
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00094 | (2S)-propane-1,2-diol |
|
C(O)(CO)C | 0.0065 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00683 | methylphosphonic acid |
|
P(=O)(O)(O)C | 0.0027 |
| FDBF00805 | 2-methoxyethanol |
|
C(OC)CO | 0.0072 |
| FDBF00806 | (2S)-2-methoxypropan-1-ol |
|
C(OC)(C)CO | 0.0003 |
