HEXASONIUM IODIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H27O2S.I
Molecular Weight	434.375
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[I-].C[S+](C)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=LZXCSAFKUYXBTJ-UHFFFAOYSA-M

InChI=1S/C18H27O2S.HI/c1-21(2)14-13-20-18(19)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C18H27O2S
Molecular Weight	307.471
Charge	1
Count

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

Molecular Formula	HI
Molecular Weight	127.9124
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8517078

Hexasonium, an anticholinergic agent, was studied as a spasmolytic. Information about the current use of this drug is not available.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:10:06 GMT 2023` Edited by `admin` on `Fri Dec 15 16:10:06 GMT 2023`
Record UNII	1X8AK2Z46B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEXASONIUM IODIDE

Official Name

English

Hexasonium iodide [WHO-DD]

Common Name

English

SULFONIUM, (2-((2-CYCLOHEXYL-2-PHENYLACETYL)OXY)ETHYL)DIMETHYL-, IODIDE (1:1)

Systematic Name

English

hexasonium iodide [INN]

Common Name

English

THIOSPASMINE

Brand Name

English

2-(PHENYLCYCLOHEXYLACETOXY)ETHYLDIMETHYLSULFONIUM IODIDE

Systematic Name

English

HEXADIPHENSULFONE IODIDE

Common Name

English

(2-HYDROXYETHYL)DIMETHYL SULFONIUM IODIDE .ALPHA.-PHENYL CYCLOHEXANEACETATE

Common Name

English

THIOSPASMIN

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66880