IUPAC name
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one
SMILES
CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1
Compound class
Central Nervous System Stimulants; Respiratory System Agents; Respiratory System; Respiratory Stimulants;
Therapeutic area
For use as a temporary measure in hospitalized patients with acute respiratory insufficiency superimposed on chronic obstructive pulmonary disease.
Common name
Doxapram
IUPAC name
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one
SMILES
CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1
INCHI
InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
FORMULA
C24H30N2O2
Common name
Doxapram
IUPAC name
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one
Molecular weight
378.507
clogP
4.230
clogS
-5.220
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
32.78
Number of Rings
4
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00484 | morpholine |
|
O1CCNCC1 | 0.0082 |
| FDBF01262 | (3R,4S)-4-methyl-3-phenyl-pyrrolidin-2-one |
|
O=C1NCC(C1c2ccccc2)C | 0.0003 |
| FDBF01263 | (4S)-4-ethylpyrrolidin-2-one |
|
O=C1NCC(C1)CC | 0.0003 |
| FDBF01264 | (4S)-1-ethyl-4-methyl-pyrrolidin-2-one |
|
O=C1N(CC(C1)C)CC | 0.0003 |
| FDBF01266 | (3R)-1-ethyl-3-phenyl-pyrrolidin-2-one |
|
O=C1N(CCC1c2ccccc2)CC | 0.0003 |
| FDBF01267 | (3S,4S)-4-methyl-3-phenyl-pyrrolidin-2-one |
|
O=C1NCC(C1c2ccccc2)C | 0.0003 |
| FDBF01269 | (3S,4S)-4-ethyl-3-phenyl-pyrrolidin-2-one |
|
O=C1NCC(C1c2ccccc2)CC | 0.0003 |
| FDBF01270 | (3R,4S)-4-ethyl-3-phenyl-pyrrolidin-2-one |
|
O=C1NCC(C1c2ccccc2)CC | 0.0003 |
| FDBF01272 | (3R,4S)-1-ethyl-4-methyl-3-phenyl-pyrrolidin-2-one |
|
O=C1N(CC(C1c2ccccc2)C)CC | 0.0003 |
23 ,
3
