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CHEBI:31520 - doxapram hydrochloride monohydrate

ChEBI IDCHEBI:31520
ChEBI Namedoxapram hydrochloride monohydrate
Stars
DefinitionThe monohydrate form of doxapram hydrochloride. A central and respiratory stimulant with a brief duration of action, it is used 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.
Last Modified23 July 2010
DownloadsMolfile
FormulaC24H31N2O2.Cl.H2O
Net Charge0
Average Mass432.992
Monoisotopic Mass432.21797
SMILESCCN1CC(CC[NH+]2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.O.[Cl-]
InChIInChI=1S/C24H30N2O2.ClH.H2O/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;1H;1H2
InChIKeyZOMBFZRWMLIDPX-UHFFFAOYSA-N
Roles Classification
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
doxapram hydrochloride monohydrate (CHEBI:31520) has part doxapram hydrochloride (anhydrous) (CHEBI:59837)
doxapram hydrochloride monohydrate (CHEBI:31520) has role central nervous system stimulant (CHEBI:35337)
doxapram hydrochloride monohydrate (CHEBI:31520) is a hydrate (CHEBI:35505)
IUPAC Name 
4-[2-(1-ethyl-5-oxo-4,4-diphenylpyrrolidin-3-yl)ethyl]morpholin-4-ium chloride—water (1/1)
Synonyms  Source
Doxapram hydrochloride monohydrateKEGG COMPOUND
Doxapram hydrochlorideKEGG COMPOUND
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride monohydrateChEBI
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride hydrateChEBI
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride—water (1/1)ChEBI
(±±)-1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone monohydrochloride monohydrateChemIDplus
Manual XrefsDatabases
D01872KEGG DRUG
DB00561DrugBank
Registry NumbersSources
CAS:7081-53-0KEGG DRUG
CAS:7081-53-0ChemIDplus