HEXASONIUM

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H27O2S
Molecular Weight	307.471
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of HEXASONIUM

Structure Search

SMILES

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

InChI

InChIKey=NRZPIZQZOQMVFZ-UHFFFAOYSA-N

InChI=1S/C18H27O2S/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/q+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	( + / - )

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 `Sat Dec 16 04:51:39 GMT 2023` Edited by `admin` on `Sat Dec 16 04:51:39 GMT 2023`
Record UNII	N456Q41XF9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXASONIUM

Common Name

English

HEXASONIUM CATION

Common Name

English

HEXASONIUM ION

Common Name

English

Hexasonium [WHO-DD]

Common Name

English

SULFONIUM, (2-((2-CYCLOHEXYL-2-PHENYLACETYL)OXY)ETHYL)DIMETHYL-

Systematic Name

English

Code System Code Type Description

EVMPD

SUB02508MIG

Created by admin on Sat Dec 16 04:51:39 GMT 2023 , Edited by admin on Sat Dec 16 04:51:39 GMT 2023

PRIMARY

CAS

25330-82-9

Created by admin on Sat Dec 16 04:51:39 GMT 2023 , Edited by admin on Sat Dec 16 04:51:39 GMT 2023

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PUBCHEM

71526

Created by admin on Sat Dec 16 04:51:39 GMT 2023 , Edited by admin on Sat Dec 16 04:51:39 GMT 2023

PRIMARY

FDA UNII

N456Q41XF9

Created by admin on Sat Dec 16 04:51:39 GMT 2023 , Edited by admin on Sat Dec 16 04:51:39 GMT 2023

PRIMARY

SMS_ID

100000086700

Created by admin on Sat Dec 16 04:51:39 GMT 2023 , Edited by admin on Sat Dec 16 04:51:39 GMT 2023

PRIMARY

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					N456Q41XF9

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