Basic information
- CAS
57265-65-3- Standard SMILES
Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1.[Cl-]- InChIKey
YGEIMSMISRCBFF-UHFFFAOYSA-M- Molecular formula
- C31H23Cl7N2O
- Average molar mass
- 687.7 g/mol
- Monoisotopic mass
- 683.963007
Overview
Calmidazolium chloride is the organic choride salt of calmidazolium. It has a role as a calmodulin antagonist and an apoptosis inducer. It contains a calmidazolium.
Names & identifiers
- Preferred name
- Calmidazolium Chloride
- IUPAC
- 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
- English name
- CALMIDAZOLIUM CHLORIDE
- Molecular formula
- C31H23Cl7N2O
- Molecular weight
- 687.69
Names & synonyms
calmidazolium chloride57265-65-38CQN259H2WR-24571DTXSID5010172591-(Bis(chlorophenyl)methyl)-3-(2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl)imidazolinium chlorideRefChem:123008DTXCID001344324Calmidazolium (chloride)R 245711-(Bis(4-chlorophenyl)methyl)-3-(2-((2,4-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazol-3-ium chlorideMFCD00077679
Show more names
COMPOUND 48/80CALMIDAZOLIUMCalimidazolineCOMPOUND R24571R 24571 CHLORIDECalmidazolium chloriCalmidazolium chloride,99%CALMODULIN INHIBITOR R 24571
1-[bis(4-Chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(2,4-dichlorobenzyloxy)ethyl]-1H-imidazolium chloride1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium;chlorideMLS002172477CHEMBL12088581-[Bis(4-chlorophenyl)methyl]-3-{2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazol-3-ium chlorideSMR001254103UNII-8CQN259H2WSR-01000075486
Properties
Computed structural properties
- Topological polar surface area
- 18 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Melting point
- 172 · 172-176 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- form
- solid
- color
- white
- Water Solubility
- Soluble in dimethyl sulfoxide, ethanol. methanol, chloroform, and propylene glycol. Insoluble in water.
- BRN
- 6470244 · 6470244
- InChIKey
- YGEIMSMISRCBFF-UHFFFAOYSA-M
- SMILES
- [Cl-].Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3
- FDA UNII
- 8 CQN259H2W · 8CQN259H2W
- UNSPSC Code
- 41106300 · 41106300
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P280-P301+P310+P330-P302+P352+P312-P304+P340+P312-P403+P233
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-8-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- Gk2402500
- ridadr
- UN 2811 6.1 / PGII
- hs_code
- 29332990
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301+H311+H331
- Precautionary statements
- P261-P280-P301+P310+P330-P302+P352+P312-P304+P340+P312-P403+P233
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesCalmidazolium chloride is a small molecule CaM antagonist and calcium channel protein inhibitor. Calmidazolium chloride demonstrates noncompetitive inhibition of platelet and sarcoplasmic reticulum Ca2+-ATPase activity and shows inhibition of Ca2+transport activity in platelet microsomes. In HeLa cells, calmidazolium chloride stimulates a mechanism of cellular Ca2+influx distinct from store-operated Ca2+entry and unaccompanied by Ca2+store depletion, mobilizing stores and evoking a Ca2+signal through activation of phospholipase C. Calmidazolium chloride is described to inhibit constitutive nitric oxide synthase (NOS) activity without affecting inducible NOS in rat aorta. The dependence upon calmodulin of neuronal NOS (nNOS) in neuroblastoma N1E-115 cells was probed with calmidazolium chloride, where it was demonstrated to increase cGMP levels indirectly indicating an increase in NO output by nNOS. Calmidazolium chloride is also described to inhibit the activity of calmodulin N-methyltransferase.
General DescriptionCompound 48/80, is the condensation product of N-methyl p-methoxyphenethylamine and formaldehyde.
Suppliers43 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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