Basic information
- CAS
6004-98-4- Standard SMILES
C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1- InChIKey
ZRYHPQCHHOKSMD-UHFFFAOYSA-N- Molecular formula
- C20H33N2O+
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.25928868
Overview
Hexocyclium is an amine.
Names & identifiers
- Preferred name
- Hexocyclium
- IUPAC
- 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
- English name
- Hexocyclium
- Molecular formula
- C20H33N2O+
- Molecular weight
- 317.5
Names & synonyms
HEXOCYCLIUM6004-98-4Hexocyclium ionHexocyclium cationhexociclium1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanolLL3147PI1TDTXSID808592104-(2-Cyclohexyl-2-hydroxy-2-phenethyl)-1,1-dimethylpiperazinium1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-ethanolRefChem:146313DTXCID20196712
Show more names
4-(2-Cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-iumPiperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl- (9ci)Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethyl-, sulfate
CHEMBL1201325HexocyclumAC1L2NA2UNII-LL3147PI1TSureCN934371GTPL323HEXOCYCLIUM [WHO-DD]SCHEMBL934371
Database identifiers
- CAS
6004-98-4- PubChem CID
- 24199
- DTXSID
DTXSID80859210
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 362
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Melting Point203-204
Physicochemical properties
- Melting point
- 205 °C · 205°C
- Density
- 1.1209 · 1.1209 (rough estimate)
- refractive index
- 1.651 · 1.6510 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3147 PI1T · LL3147PI1T
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsHexocyclium reduces gastrointesitinal motility and gastric acid secretion.
Mechanism of Action
Hexocyclium binds to and inhibits muscarinic acetylcholine receptors. This decreases gastric acid secretion by preventing the activation of M3 receptors on pareital cells and subsequent stimulation of gastric acid secretion. The antagonism of M3 receptors in the intestine inhibits smooth muscle contraction resulting in a decrease in motility. The binding of hexocyclium to other muscarinic receptor types produces typical anti-muscarinic side effects.
Uses & manufacturing
Use ClassificationPharmaceuticals
Suppliers2 total
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
Additional notes
DefinitionChEBI: Hexocyclium is an amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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