Products for Research Use Only
RegisterLogin

Hexocyclium metilsulfate

CAT: 0013-GTR19197535-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19197535-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Hexocyclium metilsulfate is an anticholinergic agent that inhibits gastric acid secretion. It has been used in research to study gastrointestinal physiology and the mechanisms of gastric secretion in both in vitro and in vivo experimental models.
CAS Number
115-63-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=S (=O) ([O-]) OC.OC (C=1C=CC=CC1) (CN2CC[N+] (C) (C) CC2) C3CCCCC3
Molecular Formula
C21H36N2O5S
Molecular Weight
428.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tral

Hexocyclium methyl sulfate is a member of phenylethanolamines, an ethanolamine sulfate salt and a piperazinium salt.

CAS Number115-63-9
PubChem CID101587
IUPAC Name1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;methyl sulfate
Molecular FormulaC21H36N2O5S
Molecular Weight428.6
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity453
SMILES
C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]
InChI
InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
NSILVESQCSUIAJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tral
CAS: 115-63-9
CID: 101587
Formula: C21H36N2O5S
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass428.23449343
Monoisotopic Mass428.23449343
Topological Polar Surface Area98.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19202003-01Difenzoquat metilsulfate
GTR19241833-01Fenclexonium metilsulfate
GTR19273585-01Tisolagiline methylsulfate
GTR19166022-01Phenazine methylsulfate
GTR19249921-01Metaphit methylsulfate
GTR19158267-01Amezinium (methylsulfate)
GTR19199043Laudexium methylsulfate
GTR19248592-01DOTAP methylsulfate
GTR19168539-01Amezinium methylsulfate
GTR19176175-01Diphenmanil methylsulfate

Alternative Products

CatalogName
MBS5777249Hexocyclium metilsulfate
451904-01Hexocyclium Iodide
MBS5772745Difenzoquat metilsulfate
AR-N01278-01Neostigmine Metilsulfate
HY-108171AHexocyclium (methylsulfate)
T202702-01Fenclexonium metilsulfate
329401Amezinium Metilsulfate
451905-01Hexocyclium Iodide-d3

Popular Products