IUPAC name
3-(2-methoxyethyl) 5-(2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES
COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1
Compound class
Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects;
Therapeutic area
For the treatment of hypertension.
Common name
Cilnidipine
IUPAC name
3-(2-methoxyethyl) 5-(2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES
COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1
INCHI
InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
FORMULA
C27H28N2O7
Common name
Cilnidipine
IUPAC name
3-(2-methoxyethyl) 5-(2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular weight
492.520
clogP
4.117
clogS
-6.124
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
125.67
Number of Rings
3
Rotatable Bond
12
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00779 | nitrobenzene |
|
O=N(=O)c1ccccc1 | 0.0134 |
| FDBF01017 | styrene |
|
C(=C)c1ccccc1 | 0.0041 |
| FDBF01217 | [(E)-prop-1-enyl]benzene |
|
C(=CC)c1ccccc1 | 0.0021 |
