IUPAC name
ethyl 10-(2-iodophenyl)undecanoate
SMILES
CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I
Compound class
Contrast Media;
Therapeutic area
Iophendylate is used as a contrast agent to locate spinal tumors.
Common name
Iophendylate
IUPAC name
ethyl 10-(2-iodophenyl)undecanoate
SMILES
CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I
INCHI
InChI=1S/C19H29IO2/c1-3-22-19(21)15-9-7-5-4-6-8-12-16(2)17-13-10-11-14-18(17)20/h10-11,13-14,16H,3-9,12,15H2,1-2H3
FORMULA
C19H29IO2
Common name
Iophendylate
IUPAC name
ethyl 10-(2-iodophenyl)undecanoate
Molecular weight
416.337
clogP
6.765
clogS
-6.804
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
26.3
Number of Rings
1
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00103 | ethyl acetate |
|
O(C(=O)C)CC | 0.0127 |
| FDBF00190 | ethyl propanoate |
|
C(C)C(=O)OCC | 0.0086 |
| FDBF02694 | iodobenzene |
|
Ic1ccccc1 | 0.0017 |
8 ,
1
