IUPAC name
5-{[(E)-{pyridin-3-yl[3-(trifluoromethyl)phenyl]methylidene}amino]oxy}pentanoic acid
SMILES
OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F
Compound class
Platelet Aggregation Inhibitors; Gastrointestinal Agents; Enzyme Inhibitors; Thrombolytic Agents;
Therapeutic area
Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction.
Common name
Ridogrel
IUPAC name
5-{[(E)-{pyridin-3-yl[3-(trifluoromethyl)phenyl]methylidene}amino]oxy}pentanoic acid
SMILES
OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F
INCHI
InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
FORMULA
C18H17F3N2O3
Common name
Ridogrel
IUPAC name
5-{[(E)-{pyridin-3-yl[3-(trifluoromethyl)phenyl]methylidene}amino]oxy}pentanoic acid
Molecular weight
366.334
clogP
4.578
clogS
-4.993
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
71.78
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF00062 | pentanoic acid |
|
CCCCC(=O)O | 0.0079 |
| FDBF00159 | N-methoxymethanamine |
|
CONC | 0.0010 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| FDBF00164 | N-methoxy-1-phenyl-methanamine |
|
c1(ccccc1)CNOC | 0.0007 |
| FDBF02748 | N-methoxy-1-(3-pyridyl)methanamine |
|
O(NCc1cnccc1)C | 0.0003 |
