FENCLEXONIUM METILSULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H32N.CH3O4S
Molecular Weight	409.583
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COS([O-])(=O)=O.C[N+]3(CCC(C1=CCCCC1)C2=CC=CC=C2)CCCCC3

InChI

InChIKey=DPQPWAGLQYSJRP-UHFFFAOYSA-M

InChI=1S/C21H32N.CH4O4S/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20;1-5-6(2,3)4/h2,5-6,11-13,21H,3-4,7-10,14-18H2,1H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C21H32N
Molecular Weight	298.4855
Charge	1
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	CH3O4S
Molecular Weight	111.097
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://link.springer.com/chapter/10.1007/978-1-4757-2085-3_6

Fenclexonium is an anticholinergic, spasmolytic agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:31:32 UTC 2023` Edited by `admin` on `Fri Dec 15 16:31:32 UTC 2023`
Record UNII	88M0X6627K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FENCLEXONIUM METILSULFATE

Official Name

English

FENCLEXONIUM METHYLSULFATE

Common Name

English

1-(3-(1-CYCLOHEXENYL)-3-PHENYLPROPYL)-1-METHYLPIPERIDINIUM METHYLSULFATE

Systematic Name

English

FENCLEXONIUM METILSULPHATE

Common Name

English

fenclexonium metilsulfate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66880