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Doxapram

CAT: 0127-OR1027469-04Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1027469-04Size:5 g
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CAS Number
309-29-5
Synonyms
1-ethyl-4- (2-morpholin-4-ylethyl) -3,3-diphenylpyrrolidin-2-one
Purity
98%
Smiles
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4

Chemical Information

Doxapram

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.

CAS Number309-29-5
PubChem CID3156
IUPAC Name1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one
Molecular FormulaC24H30N2O2
Molecular Weight378.5
XLogP3.3
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity487
SMILES
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4
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
InChIKey
XFDJYSQDBULQSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Doxapram
CAS: 309-29-5
CID: 3156
Formula: C24H30N2O2
MW: 378.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass378.230728204
Monoisotopic Mass378.230728204
Topological Polar Surface Area32.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B3371-100Doxapram
A8419-50Doxapram HCl
GTR19275135-01Doxapram hydrochloride
AR-D07664-01Doxapram-d5
HY-129146-01Doxapram (hydrochloride)

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