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CHEBI:73339 - methoctramine

ChEBI IDCHEBI:73339
ChEBI Namemethoctramine
Stars
DefinitionA tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents.
Last Modified1 May 2013
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC36H62N4O2
Net Charge0
Average Mass582.918
Monoisotopic Mass582.48728
SMILESCOc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
InChIInChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
InChIKeyRPMBYDYUVKEZJA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
methoctramine (CHEBI:73339) has role muscarinic antagonist (CHEBI:48876)
methoctramine (CHEBI:73339) is a aromatic ether (CHEBI:35618)
methoctramine (CHEBI:73339) is a tetramine (CHEBI:39166)
methoctramine (CHEBI:73339) is conjugate base of methoctramine(4+) (CHEBI:73453)
Incoming Relation(s)
methoctramine(4+) (CHEBI:73453) is conjugate acid of methoctramine (CHEBI:73339)
IUPAC Name 
N,N'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine
Registry NumbersSources
Reaxys:4772600Reaxys
Citations