Compound Summary
Methoctramine
Compound Information
Methoctramine
Compound Name: | Methoctramine |
Compound CID: | 107759 |
Synonyms: | Methoctramine Methoctramine tetrahydrochloride METHOCTRAMINE HYDROCHLORIDE 104807-46-7 UNII-RLO2T99XT3 More... |
Iupac Name: | N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine;tetrahydrochloride |
InChI: | InChI=1S/C36H62N4O2.4ClH/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;4*1H |
InChIKey: | CDKGGOUDHGSFAF-UHFFFAOYSA-N |
Canonical Smiles: | COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC.Cl.Cl.Cl.Cl |
Isomeric Smiles: | COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC.Cl.Cl.Cl.Cl |
Molecular Weight: | 728.7 |
Molecular Formula: | C36H66Cl4N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Methoctramine
Molecular Weight: | 728.7 |
Molecular Formula: | C36H66Cl4N4O2 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 29 |
Heavy Atom Count: | 46 |
Complexity: | 519 |
Synonyms
Methoctramine
| Methoctramine | Methoctramine |
|---|---|
Methoctramine |
Methoctramine tetrahydrochloride |
METHOCTRAMINE HYDROCHLORIDE |
104807-46-7 |
UNII-RLO2T99XT3 |
RLO2T99XT3 |
CHEMBL500996 |
CHEBI:73452 |
N,N-Bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine tetrahydrochloride" |
N,N-bis6-(2-methoxyphenyl)methylaminohexyloctane-1,8-diamine;tetrahydrochloride |
Methoctramine hemihydrate |
N,N-Bis{6-(2-methoxybenzyl)aminohexyl}-1,8-octanediamine tetrahydrochloride |
BCP21290 |
Tox21_500862 |
CCG-222166 |
LP00862 |
1,8-Octanediamine, N,N-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-, tetrahydrochloride |
NCGC00094187-01 |
NCGC00261547-01 |
EU-0100862 |
M-105 |
Methoctramine 4HCl;Methoctramine hydrochloride |
SR-01000075328 |
J-001258 |
SR-01000075328-1 |
Q27140537 |
N,N-bis6-(2-Methoxyphenyl)methylaminohexyl1,8-octane diamine tetrahydrochloride" |
N,N-bis{6-(2-methoxybenzyl)aminohexyl}octane-1,8-diamine tetrahydrochloride" |
N,N-bis{6-(2-methoxybenzyl)azaniumylhexyl}octane-1,8-diaminium tetrachloride" |
N1,N1-(octane-1,8-diyl)bis(N6-(2-methoxybenzyl)hexane-1,6-diamine) tetrahydrochloride" |
Experimental Data
Methoctramine
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Methoctramine
Statistics Data
Methoctramine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
Methoctramine
