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 |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00061 | butyric acid |
|
CCCC(=O)O | 0.0131 |
| FDBF00161 | N-benzylhydroxylamine |
|
c1(ccccc1)CNO | 0.0007 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00178 | N-methylhydroxylamine |
|
ONC | 0.0010 |
| FDBF02744 | N-(3-pyridylmethyl)hydroxylamine |
|
ONCc1cnccc1 | 0.0003 |
| FDBF02745 | N-[(R)-phenyl(3-pyridyl)methyl]hydroxylamine |
|
ONC(c1cnccc1)c2ccccc2 | 0.0003 |
| FDBF02746 | N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine |
|
FC(F)(F)c1cc(ccc1)CNO | 0.0003 |
| FDBF02747 | N-ethoxymethanamine |
|
O(NC)CC | 0.0003 |
| FDBF02749 | N-propoxymethanamine |
|
O(NC)CCC | 0.0003 |
