MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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doxapram

	Properties	Image
MNX_ID	MNXM51584
reference	chebi:681848
formula	C₂₄H₃₀N₂O₂
global charge	0
mol weight	378.516
InChIKey	XFDJYSQDBULQSI-UHFFFAOYSA-N
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
SMILES	CCN1CC(CCN2CCOCC2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C1=O

MNX internals

InChI (mnx)	InChI=1/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/t22?
SMILES (mnx)	[CH3:1][CH2:2][N:26]1[CH2:19][CH:22]([CH2:13][CH2:14][N:25]2[CH2:15][CH2:17][O:28][CH2:18][CH2:16]2)[C:24]([C:20]2=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]2)([C:21]2=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]2)[C:23]1=[O:27]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:681848 chebi:681848 XFDJYSQDBULQSI-UHFFFAOYSA-N	doxapram (+-)-doxapram 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone 1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one Doxapram
kegg.drug:D07873 keggD:D07873 XFDJYSQDBULQSI-UHFFFAOYSA-N	Doxapram (INN) Docatone (TN)
hmdb:HMDB0014701 XFDJYSQDBULQSI-UHFFFAOYSA-N	Doxapram (+-)-Doxapram 1-Ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidinone 1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one AHP brand OF doxapram hydrochloride Antigen brand OF doxapram hydrochloride Docatone Dopram Doxapram hydrochloride Genopharm brand OF doxapram hydrochloride Hydrochloride, doxapram Riemser brand OF doxapram hydrochloride Wyeth brand OF doxapram Wyeth brand OF doxapram hydrochloride doxapram
hmdb:HMDB14701 keggD:M_D07873	secondary/obsolete/fantasy identifier