IUPAC name
2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ
SMILES
CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1
Compound class
;
Therapeutic area
For the treatment of hypertension.
Common name
Efonidipine
IUPAC name
2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ
SMILES
CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1
INCHI
InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3
FORMULA
C34H38N3O7P
Common name
Efonidipine
IUPAC name
2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ
Molecular weight
631.655
clogP
4.451
clogS
-8.230
HBond Acceptor
8
HBond Donor
1
Total Polar Surface Area
128.91
Number of Rings
5
Rotatable Bond
11
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00642 | N,N-dimethylaniline |
|
CN(C)c1ccccc1 | 0.0045 |
| FDBF00779 | nitrobenzene |
|
O=N(=O)c1ccccc1 | 0.0134 |
| FDBF00913 | phenylmethanamine |
|
NCc1ccccc1 | 0.0086 |
| FDBF01425 | N-methyl-1-phenyl-methanamine |
|
N(C)Cc1ccccc1 | 0.0045 |
| FDBF01799 | N-benzylethanamine |
|
N(CC)Cc1ccccc1 | 0.0024 |
| FDBF02825 | N-ethylaniline |
|
C(C)Nc1ccccc1 | 0.0021 |
| FDBF02828 | N-ethyl-N-methyl-aniline |
|
C(C)N(c1ccccc1)C | 0.0014 |
| FDBF04312 | methyl 2,6-dimethylpyridine-3-carboxylate |
|
COC(=O)c1ccc(nc1C)C | 0.0003 |
18 ,
2
