IUPAC name
2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O
Compound class
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics;
Therapeutic area
For the treatment of hypertension. It may be used alone or in combination with thiazide diuretics.
Common name
Benazepril
IUPAC name
2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O
INCHI
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
FORMULA
C24H28N2O5
Common name
Benazepril
IUPAC name
2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
Molecular weight
424.490
clogP
3.141
clogS
-4.725
HBond Acceptor
5
HBond Donor
2
Total Polar Surface Area
95.94
Number of Rings
3
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00190 | ethyl propanoate |
|
C(C)C(=O)OCC | 0.0086 |
| FDBF00192 | ethyl (2S)-2-aminopropanoate |
|
C(C)(N)C(=O)OCC | 0.0031 |
| FDBF00194 | 3-phenylpropan-1-amine |
|
C(c1ccccc1)CCN | 0.0052 |
| FDBF01228 | (3S)-3-(methylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one |
|
CNC1C(=O)Nc2c(cccc2)CC1 | 0.0003 |
| FDBF01229 | (3S)-3-(ethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one |
|
C(NC1C(=O)Nc2c(cccc2)CC1)C | 0.0003 |
| FDBF01231 | 1,3,4,5-tetrahydro-1-benzazepin-2-one |
|
O=C1Nc2c(cccc2)CCC1 | 0.0003 |
