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Screening compounds

Methantheline

Also known as Methanthelinium, Methanthelinum, Methantheline ion

CAS 5818-17-7Formula C21H26NO3+Molar mass 340.44 g/mol
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Methantheline chemical structure, C21H26NO3+, CAS 5818-17-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5818-17-7
Formula
C21H26NO3+
Molar mass
340.44 g/mol
HS code
293299
Category
Screening compounds

What is Methantheline?

Plain description, key identifiers and synonyms

Methantheline is a member of xanthenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
CAS number
5818-17-7 CAS number cross-checked
Molecular formula
C21H26NO3+
UNII
36EI79TX7I
InChIKey
GZHFODJQISUKAY-UHFFFAOYSA-N
InChI
InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1
SMILES (canonical and isomeric)
CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

Synonyms

  • Methanthelinium
  • Methanthelinum
  • Methantheline ion
  • Methantheline cation
  • Ethanaminium, N,N-diethyl-N-methyl-2-((9H-xanthen-9-ylcarbonyl)oxy)-
  • diethyl(methyl)(2-((9H-xanthen-9-yl)carbonyloxy)ethyl)azanium
  • diethyl(methyl){2-[(9H-xanthen-9-yl)carbonyloxy]ethyl}azanium
  • Banthine bromide
  • Methanthine bromide
  • N,N-Diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]ethanaminium
  • diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
  • Diethyl(2-hydroxyethyl)methylammonium xanthene-9-carboxylate
  • N,N-diethyl-N-methyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]-ethanaminium
  • N,N-Diethyl-N-methyl-2-[(9H-xanthene-9-carbonyl)oxy]ethan-1-aminium
  • Ethanaminium, N,N-diethyl-N-methyl-2-((9H-xanthen-9-ylcarbonyl)oxy)

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
340.44 g/molcalc.
Exact mass
340.1907 Dacalc.
LogP (octanol/water)
3.95calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
1calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 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, c1ccc2c(c1)Cc1ccccc1O2

c1ccc2c(c1)Cc1ccccc1O2

3 rings, 14 atoms, the Xanthene ring system.

315 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.

Methantheline suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Methantheline price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pharmaceuticals.

Pharmacological actions

  • Muscarinic Antagonists

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 Methantheline is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Methantheline?

Methantheline is a member of xanthenes.

What is the CAS number of Methantheline?

The CAS registry number of Methantheline is 5818-17-7.

What is the molecular formula and weight of Methantheline?

The molecular formula of Methantheline is C21H26NO3+ and its molar mass is 340.44 g/mol.

What is Methantheline used for?

Use classes: Pharmaceuticals.

Is Methantheline hazardous?

No GHS hazard classification for Methantheline 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 Methantheline?

Methantheline is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methantheline?

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

What is the price of Methantheline?

Suppliers quote Methantheline 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 Methantheline

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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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