Molecular Identity
Doxapram
1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one
PubChem CID: 3156
Doxapram is a member of the class of pyrrolidin-2-ones that is N-ethylpyrrolidin-2-one in which both of the hydrogens at the 3 position (adjacent to the carbonyl group) are substituted by phenyl groups, and one of the hydrogens at the 4 position is substituted by a 2-(morpholin-4-yl)ethyl group. A central and respiratory stimulant with a brief duration of action, it is used (generally as the hydrochloride or the hydrochloride hydrate) as a temporary treatment of acute respiratory failure, particularly when superimposed on chronic obstructive pulmonary disease, and of postoperative respiratory depression. It has also been used for treatment of postoperative shivering. It has a role as a central nervous system stimulant. It is a member of morpholines and a member of pyrrolidin-2-ones.
2D Structure
Properties
C24H30N2O2
Molecular Formula
378.50
Molecular Weight
g/mol
378.2307
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
32.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
487
Complexity
SMILES
Canonical SMILES
SMILES: CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4Isomeric SMILES
SMILES: CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4Synonyms(20)
doxapram309-29-5DoxapramumDocatone2-Pyrrolidinone, 1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone(+-)-doxapram2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-oneCHEBI:6818482-Pyrrolidinone, 1-ethyl-4-(2-(4-morpholinyl)ethyl)-3,3-diphenyl-94F3830Q73DTXSID2022963AHR 6191-ethyl-4-(2-(morpholin-4-yl)ethyl)-3,3-diphenylpyrrolidin-2-one
Data from PubChem (NCBI)
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