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Aromatic building blocks

Methoctramine

Also known as Methoctramine hydrochloride, N,N'-Bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine tetrahydrochloride, 1,8-Octanediamine, N,N'-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-, tetrahydrochloride

CAS 104807-46-7Formula C36H66Cl4N4O2Molar mass 728.76 g/mol
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Methoctramine chemical structure, C36H66Cl4N4O2, CAS 104807-46-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104807-46-7
Formula
C36H66Cl4N4O2
Molar mass
728.76 g/mol
HS code
292229
Category
Aromatic building blocks

What is Methoctramine?

Plain description, key identifiers and synonyms

Methoctramine tetrahydrochloride is a hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. It has a role as a muscarinic antagonist. It contains a methoctramine(4+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine, tetrahydrochloride
CAS number
104807-46-7
Molecular formula
C36H66Cl4N4O2
UNII
RLO2T99XT3
InChIKey
CDKGGOUDHGSFAF-UHFFFAOYSA-N
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
SMILES (canonical and isomeric)
COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC.Cl.Cl.Cl.Cl

Synonyms

  • Methoctramine hydrochloride
  • N,N'-Bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine tetrahydrochloride
  • 1,8-Octanediamine, N,N'-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-, tetrahydrochloride
  • N,N'-bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine
  • N,N'-bis(6-((2-methoxybenzyl)amino)hexyl)octane-1,8-diamine
  • Methoctramine tetrahydrochloride
  • Methoctramine tetrahydrochloride hemihydrate
  • N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine, tetrahydrochloride
  • Methoctramine (tetrahydrochloride)
  • N,N'-Bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-1,8-octanediamine tetrahydrochloride
  • Methoctramine hemihydrate
  • N1,N1'-(octane-1,8-diyl)bis(N6-(2-methoxybenzyl)hexane-1,6-diamine) tetrahydrochloride
  • N,N'-bis[6-[[(2-Methoxyphenyl)methyl]amino]hexyl]1,8-octane diamine tetrahydrochloride
  • N,N'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine tetrahydrochloride
  • N,N'-bis{6-[(2-methoxybenzyl)azaniumyl]hexyl}octane-1,8-diaminium tetrachloride

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
728.76 g/molcalc.
Exact mass
726.394 Dacalc.
LogP (octanol/water)
8.91calc.
Topological polar surface area
66.58 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
29calc.
Heavy atoms
46calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
5calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccc2)cc1

c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccc2)cc1

2 rings, 38 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Methoctramine suppliers

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Methoctramine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Parasympatholytics

Roles

  • cholinergic antagonist
  • cholinergic drug
  • muscarinic antagonist
  • neurotransmitter agent
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Methoctramine is traded under.

HS 2922.29Indicative HS code

Amino-naphthols and other amino-phenols, other than those containing more than one kind…

World exports in 2024
$467M
−15.3% vs 2023, imports $454M
2019 to 2024
Top exporters
  1. China63.1%
  2. India * partner reported15.5%
  3. Japan4.0%
Top importers
  1. India * partner reported25.8%
  2. United States14.4%
  3. South Korea7.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Methoctramine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methoctramine, based on the data on this page

What is Methoctramine?

Methoctramine tetrahydrochloride is a hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. It has a role as a muscarinic antagonist. It contains a methoctramine(4+).

What is the CAS number of Methoctramine?

The CAS registry number of Methoctramine is 104807-46-7.

What is the molecular formula and weight of Methoctramine?

The molecular formula of Methoctramine is C36H66Cl4N4O2 and its molar mass is 728.76 g/mol.

What is Methoctramine used for?

Known uses and roles of Methoctramine include building blocks in research and laboratory, cholinergic antagonist, cholinergic drug, muscarinic antagonist, neurotransmitter agent and 2 more.

Is Methoctramine hazardous?

No GHS hazard classification for Methoctramine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Methoctramine?

Methoctramine is usually classified under HS code 292229 (Amino-naphthols and other amino-phenols, other than those containing more than one kind…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methoctramine?

Post a free request on CompoundList and suppliers of Methoctramine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Methoctramine?

Suppliers quote Methoctramine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Methoctramine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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