Hexocyclium

Hexocyclium
Clinical data
ATC code	A03AB10 (WHO) ;
Identifiers
	IUPAC name 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium;
CAS Number	6004-98-4;
PubChem CID	24199;
IUPHAR/BPS	323;
ChemSpider	22621;
UNII	LL3147PI1T;
ChEMBL	ChEMBL1201325;
CompTox Dashboard (EPA)	DTXSID80859210 ;
Chemical and physical data
Formula	C20H33N2O
Molar mass	317.497 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C;
	InChI InChI=1S/C20H33N2O/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/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1; Key:ZRYHPQCHHOKSMD-UHFFFAOYSA-N;

Hexocyclium is an antimuscarinic. It is used in the form of its methyl sulfate, called hexocyclium metilsulfate.^[1]

References

^ Kasich AM, Fein HD (January 1958). "Hexocyclium methosulfate in active duodenal ulcer; evaluation of a new anticholinergic drug in conventional and long-acting forms, especially its effect on gastric pH as studied in 48-hour analysis". The American Journal of Digestive Diseases. 3 (1): 12–23. doi:10.1007/BF02231305. PMID 13487546.

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Clinical data

ATC code	A03AB10 (WHO)
Identifiers
IUPAC name 4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium
CAS Number	6004-98-4
PubChem CID	24199
IUPHAR/BPS	323
ChemSpider	22621
UNII	LL3147PI1T
ChEMBL	ChEMBL1201325
CompTox Dashboard (EPA)	DTXSID80859210
Chemical and physical data
Formula	C₂₀H₃₃N₂O
Molar mass	317.497 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C
InChI InChI=1S/C20H33N2O/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/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 Key:ZRYHPQCHHOKSMD-UHFFFAOYSA-N