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Heterocyclic compounds

Calmidazolium

Also known as Calmidazolium ion, 1H-Imidazolium, 1-(bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-, chloride, 1-[bis(4-chlorophenyl)methyl]-3-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium

CAS 95013-41-5Formula C31H23Cl6N2O+Molar mass 652.26 g/mol
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Calmidazolium chemical structure, C31H23Cl6N2O+, CAS 95013-41-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
95013-41-5
Formula
C31H23Cl6N2O+
Molar mass
652.26 g/mol
HS code
293329
Category
Heterocyclic compounds

What is Calmidazolium?

Plain description, key identifiers and synonyms

Calmidazolium is an imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein. It has a role as a calmodulin antagonist and an apoptosis inducer.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium
CAS number
95013-41-5 CAS number cross-checked
Molecular formula
C31H23Cl6N2O+
UNII
4R9H38JAWL
InChIKey
CTKNMSVWMRRCPW-UHFFFAOYSA-N
InChI
InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1
SMILES (canonical and isomeric)
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl

Synonyms

  • Calmidazolium ion
  • 1H-Imidazolium, 1-(bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-, chloride
  • 1-[bis(4-chlorophenyl)methyl]-3-{2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazol-3-ium
  • Calmidazolium cation
  • Probes1_000251
  • Probes2_000292
  • methoxy]ethyl]-1H-imidazolium
  • Calmidazolium, (+/-)-
  • HSCI1_000319
  • 1-(Bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1H-imidazolium
  • 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium
  • 1H-Imidazolium, 1-(bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-
  • 3-[bis(4-chlorophenyl)methyl]-1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)
  • 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl)ethyl]imidazol-3-ium, chloride
  • 1-[Bis(4-chlorophenyl)methyl]-3-{2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazol-3-ium
  • 1H-Imidazolium, 3-(bis(4-chlorophenyl)methyl)-1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-
  • 3-(Bis(4-chlorophenyl)methyl)-1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-1H-imidazolium

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
652.26 g/molcalc.
Exact mass
648.9936 Dacalc.
LogP (octanol/water)
10.29calc.
Topological polar surface area
18.04 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
9calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.13calc.
Formal charge
1calc.
Stereocentres
1calc.
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(COC(C[n+]2ccn(C(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1

c1ccc(COC(C[n+]2ccn(C(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1

5 rings, 34 atoms.

1 other chemical 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.

Calmidazolium suppliers

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  • EvitaChem
    China, BeijingUnclaimed profile
    CalmidazoliumGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

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Calmidazolium 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

Pharmacological actions

  • Analgesics
  • Enzyme Inhibitors

Roles

  • antagonist
  • apoptosis inducer
  • calmodulin antagonist

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 Calmidazolium is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Calmidazolium?

Calmidazolium is an imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein.

What is the CAS number of Calmidazolium?

The CAS registry number of Calmidazolium is 95013-41-5.

What is the molecular formula and weight of Calmidazolium?

The molecular formula of Calmidazolium is C31H23Cl6N2O+ and its molar mass is 652.26 g/mol.

What is Calmidazolium used for?

Known uses and roles of Calmidazolium include biochemical and pharmacological tools in research and laboratory, antagonist, apoptosis inducer, calmodulin antagonist, analgesics and 1 more.

Is Calmidazolium hazardous?

No GHS hazard classification for Calmidazolium 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 Calmidazolium?

Calmidazolium is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calmidazolium?

CompoundList lists 1 supplier of Calmidazolium in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Calmidazolium?

Suppliers quote Calmidazolium 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

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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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