Doxapram

CAT: 0127-OR1027469-03Size: 1 gDry Ice: NoHazardous: No

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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 Number	309-29-5
PubChem CID	3156
IUPAC Name	1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one
Molecular Formula	C24H30N2O2
Molecular Weight	378.5
XLogP	3.3
Topological Polar Surface Area	32.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	487

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

CAS: 309-29-5

CID: 3156

Formula: C24H30N2O2

MW: 378.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	378.5
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	378.230728204
Monoisotopic Mass	378.230728204
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

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

Doxapram

Chemical Information

Alternative Products

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