TRIMETHIDINIUM METHOSULFATE

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NCATS

Details

Stereochemistry	UNKNOWN
Molecular Formula	C17H36N2.2CH3O4S
Molecular Weight	490.675
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIMETHIDINIUM METHOSULFATE

Structure Search

SMILES

COS([O-])(=O)=O.COS([O-])(=O)=O.CC1(C)C2CCC1(C)C[N+](C)(CCC[N+](C)(C)C)C2

InChI

InChIKey=ZOSQTCOGKFRDET-UHFFFAOYSA-L

InChI=1S/C17H36N2.2CH4O4S/c1-16(2)15-9-10-17(16,3)14-19(7,13-15)12-8-11-18(4,5)6;2*1-5-6(2,3)4/h15H,8-14H2,1-7H3;2*1H3,(H,2,3,4)/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula	C17H36N2
Molecular Weight	268.4811
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:51:10 UTC 2023` Edited by `admin` on `Fri Dec 15 18:51:10 UTC 2023`
Record UNII	C1O32IJ4HS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMETHIDINIUM METHOSULFATE

Official Name

English

TRIMETHIDINIUM METHOSULPHATE

Common Name

English

trimethidinium methosulfate [INN]

Common Name

English

TRIMETHIDINIUM METHOSULFATE [JAN]

Common Name

English

1,3,8,8-TETRAMETHYL-3-(3-(TRIMETHYLAMMONIO)PROPYL)-3-AZONIABICYCLO(3.2.1)OCTANE BIS(METHYL SULFATE)

Common Name

English

TRIMETHIDINIUM METHOSULFATE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C270

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

NCI_THESAURUS

C29707

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

Code System Code Type Description

MERCK INDEX

m506

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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Merck Index

INN

808

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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ChEMBL

CHEMBL1708232

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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EVMPD

SUB11308MIG

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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SMS_ID

100000076943

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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PUBCHEM

26483

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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EPA CompTox

DTXSID8046115

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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CAS

14149-43-0

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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ECHA (EC/EINECS)

237-994-2

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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NCI_THESAURUS

C152747

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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FDA UNII

C1O32IJ4HS

Created by admin on Fri Dec 15 18:51:10 UTC 2023 , Edited by admin on Fri Dec 15 18:51:10 UTC 2023

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