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

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Maprotiline

	Properties	Image
MNX_ID	MNXM61158
reference	chebi:6690
formula	C₂₀H₂₃N
global charge	0
mol weight	277.411
InChIKey	QSLMDECMDJKHMQ-UHFFFAOYSA-N
InChI	InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
SMILES	CNCCCC12CCC(C3=C1C=CC=C3)C1=C2C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/t15?,20?
SMILES (mnx)	[CH3:1][NH:21][CH2:14][CH2:6][CH2:12][C:20]12[CH2:13][CH2:11][CH:15]([C:16]3=[CH:7][CH:2]=[CH:4][CH:9]=[C:18]31)[C:17]1=[CH:8][CH:3]=[CH:5][CH:10]=[C:19]12

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:6690 chebi:6690 QSLMDECMDJKHMQ-UHFFFAOYSA-N	Maprotiline maprotiline HCl maprotiline hydrochloride
seed.compound:cpd04381 seedM:cpd04381 kegg.compound:C07107 keggC:C07107 QSLMDECMDJKHMQ-UHFFFAOYSA-N QSLMDECMDJKHMQ-UHFFFAOYSA-O	Maprotiline
kegg.drug:D02566 keggD:D02566 QSLMDECMDJKHMQ-UHFFFAOYSA-N	Maprotiline (USAN)
hmdb:HMDB0015069 QSLMDECMDJKHMQ-UHFFFAOYSA-N	Maprotiline BA-34276 CT-Arzneimittel brand OF maprotiline hydrochloride Declimed brand OF maprotiline hydrochloride Deprilept Dibencycladine Dolorgiet brand OF maprotiline hydrochloride Hexal brand OF maprotiline mesylate Holsten brand OF maprotiline hydrochloride Hydrochloride, maprotiline Ludiomil Lundbeck brand OF maprotiline hydrochloride Maprolu Maprotilin Maprotilin holsten Maprotilin neuraxpharm Maprotilin ratiopharm Maprotilin teva Maprotilin von CT Maprotilin-neuraxpharm Maprotilin-ratiopharm Maprotilin-teva Maprotiline hydrochloride Maprotiline mesylate Mesylate, maprotiline Mirpan N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine Neuraxpharm brand OF maprotiline hydrochloride Novartis brand OF maprotiline hydrochloride Novo maprotiline Novo-maprotiline Novopharm brand OF maprotiline hydrochloride Psymion Ratiopharm brand OF maprotiline hydrochloride Teva brand OF maprotiline hydrochloride maprotiline methyl(3-{tetracyclo[6.6.2.0²,⁷.0⁹,¹⁴]hexadeca-2,4,6,9,11,13-hexaen-1-yl}propyl)amine
hmdb:HMDB15069 keggC:M_C07107 keggD:M_D02566 seedM:M_cpd04381	secondary/obsolete/fantasy identifier