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

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desipramine

	Properties	Image
MNX_ID	MNXM94801
reference	chebi:47781
formula	C₁₈H₂₂N₂
global charge	0
mol weight	266.388
InChIKey	HCYAFALTSJYZDH-UHFFFAOYSA-N
InChI	InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
SMILES	CNCCCN1C2=C(C=CC=C2)CCC2=C1C=CC=C2

MNX internals

InChI (mnx)	InChI=1/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
SMILES (mnx)	[CH3:1][NH:19][CH2:13][CH2:6][CH2:14][N:20]1[C:17]2=[CH:9][CH:4]=[CH:2][CH:7]=[C:15]2[CH2:11][CH2:12][C:16]2=[CH:8][CH:3]=[CH:5][CH:10]=[C:18]21

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-549262 reactomeM:R-ALL-549262 reactome:R-ALL-549305 reactomeM:R-ALL-549305 CHEBI:47781 chebi:47781 HCYAFALTSJYZDH-UHFFFAOYSA-N	desipramine 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine 5-(gamma-methylaminopropyl)iminodibenzyl DMI Desipramin Desipramine N-(3-methylaminopropyl)iminobibenzyl demethylimipramine desipramina desipraminum desmethylimipramine monodemethylimipramine norimipramine
seed.compound:cpd04276 seedM:cpd04276 sabiork.compound:9064 sabiorkM:9064 kegg.compound:C06943 keggC:C06943 HCYAFALTSJYZDH-UHFFFAOYSA-N HCYAFALTSJYZDH-UHFFFAOYSA-O	Desipramine
kegg.drug:D07791 keggD:D07791 HCYAFALTSJYZDH-UHFFFAOYSA-N	Desipramine (INN)
hmdb:HMDB0015282 HCYAFALTSJYZDH-UHFFFAOYSA-N	Desipramine (3-{2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)(methyl)amine 3-(10,11-DIHYDRO-5H-dibenzo[b,F]azepin-5-yl)-N-methylpropan-1-amine 5-(g-Methylaminopropyl)iminodibenzyl 5-(gamma-Methylaminopropyl)iminodibenzyl 5-(gamma-methylaminopropyl)iminodibenzyl Apo desipramine Apo-desipramine Apotex brand OF desipramine hydrochloride Aventis behring brand OF desipramine hydrochloride Aventis brand OF desipramine hydrochloride DMI Demethylimipramine Desimipramine Desimpramine Desipramin Desipramina Desipramine hydrochloride Desipraminum Desmethylimipramine Dezipramine Dimethylimipramine Hydrochloride, desipramine Methylaminopropyliminodibenzyl Monodemethylimipramine N-(3-Methylaminopropyl)iminobibenzyl Norimipramine Norpramin Norpramine Novartis brand OF desipramine hydrochloride Novo desipramine Novo-desipramine Novopharm brand OF desipramine hydrochloride Nu desipramine Nu pharm brand OF desipramine hydrochloride Nu-desipramine Nu-pharm brand OF desipramine hydrochloride PMS Desipramine PMS-Desipramine Pertofran Pertofrane Pertrofran Petylyl Pharmascience brand OF desipramine hydrochloride Ratio desipramine Ratio-desipramine Ratiopharm brand OF desipramine hydrochloride Rhone poulenc rorer brand OF desipramine hydrochloride Rhone-poulenc rorer brand OF desipramine hydrochloride Temmler brand OF desipramine hydrochloride desipramine
hmdb:HMDB15282 chebi:4448 chebi:47393 keggC:M_C06943 keggD:M_D07791 seedM:M_cpd04276	secondary/obsolete/fantasy identifier