CAS 6004-98-4

Hexocyclium

Description:

Hexocyclium, identified by its CAS number 6004-98-4, is a chemical compound that belongs to the class of quaternary ammonium compounds. It is characterized by its structure, which typically includes a cyclic arrangement of carbon atoms and nitrogen, contributing to its unique properties. Hexocyclium is known for its applications in various fields, including pharmaceuticals and industrial processes, often serving as an antimicrobial agent or a surfactant. The compound exhibits solubility in water and organic solvents, making it versatile for different formulations. Its stability under a range of conditions is a notable feature, although it may be sensitive to extreme pH levels or high temperatures. Safety data indicates that, like many quaternary ammonium compounds, it should be handled with care due to potential irritant effects on skin and mucous membranes. Overall, Hexocyclium's chemical characteristics and functional properties make it valuable in both research and practical applications.

Formula: C₂₀H₃₃N₂O

InChI: InChI=1/C20H33N2O.H2O4S/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(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1

InChI key: InChIKey=ZRYHPQCHHOKSMD-UHFFFAOYSA-N

SMILES: C(CN1CC[N+](C)(C)CC1)(O)(C2CCCCC2)C3=CC=CC=C3

Synonyms:

• Piperazinium, 4-(β-cyclohexyl-β-hydroxyphenethyl)-1,1-dimethyl-
• Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl-
• 4-(2-Cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazinium
• Hexocyclium
• Unii-ll3147pi1t
• 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
• 4-(2-Cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
• 4-(2-Cyclohexyl-2-hydroxy-2-phenethyl)-1,1-dimethylpiperazinium
• Piperazinium, 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethyl- (9ci)
• 115-63-9 (Methyl sulfate salt)
• Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethyl-, sulfate
• Hexocyclum

Hexocyclium Iodide-d3

Controlled Product

CAS: 101475-40-5, 6004-98-4

Applications Hexocyclium Iodide-d3 is labelled Hexocyclium Iodide (H295660) which is an antimuscarinic.
References Waelbroeck, M., et al.: Brit. J. Pharm., 98, 197 (1989)

Formula: C₂₀D₃H₃₀N₂O·I

Color and Shape: Neat

Molecular weight: 447.412

Ref: TR-H295662