TOLOCONIUM METILSULFATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H40N.CH3O4S
Molecular Weight	429.657
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCC(C1=CC=C(C)C=C1)[N+](C)(C)C

InChI

InChIKey=RCIULPORFWIVEE-UHFFFAOYSA-M

InChI=1S/C22H40N.CH4O4S/c1-6-7-8-9-10-11-12-13-14-15-22(23(3,4)5)21-18-16-20(2)17-19-21;1-5-6(2,3)4/h16-19,22H,6-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C22H40N
Molecular Weight	318.5597
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://apps.who.int/iris/bitstream/handle/10665/67830/WHO_EDM_QSM_2003.2.pdf | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 1216, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ | Martindale, W. (1993) The Extra Pharmacopoeia, page 805, retrieved from: https://books.google.ru/books?id=EGZWAAAAYAAJ

Toloconium methylsulphate is a quaternary ammonium antiseptic which has been used in infections of the mouth.

Approval Year

PubMed

Title	Date	PubMed
[The use of dodecyl-di(beta-oxyethyl) benzylammonium chloride (Bactofen) as a decontaminant in the cultural examination for detection of the Koch bacillus in sputum].	1980 Jun	6787655
Minimal stimulation IVF using clomiphene citrate and oral contraceptive pill pretreatment for LH suppression.	2000 Mar	10689017

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:46:34 GMT 2023` Edited by `admin` on `Fri Dec 15 16:46:34 GMT 2023`
Record UNII	ERT0485MCD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOLOCONIUM METILSULFATE

Official Name

English

TOLOCONIUM METILSULFATE [MART.]

Common Name

English

TOLOCONIUM METILSULPHATE

Common Name

English

(±)-TRIMETHYL(1-P-TOLYLDODECYL)AMMONIUM METHYLSULPHATE

Common Name

English

TRIMETHYL(1-P-TOLYLDODECYL)AMMONIUM METHYLSULFATE

Common Name

English

toloconium metilsulfate [INN]

Common Name

English

(±)-TRIMETHYL(1-P-TOLYLDODECYL)AMMONIUM METHYLSULFATE

Common Name

English

TRIMETHYL(1-P-TOLYLDODECYL)AMMONIUM METHYLSULPHATE

Common Name

English

Toloconium metilsulfate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394