TOLOCONIUM

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H40N
Molecular Weight	318.5597
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of TOLOCONIUM

Structure Search

SMILES

CCCCCCCCCCCC(C1=CC=C(C)C=C1)[N+](C)(C)C

InChI

InChIKey=YTPPIAQYUNXREO-UHFFFAOYSA-N

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

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

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:41:01 GMT 2023` Edited by `admin` on `Fri Dec 15 17:41:01 GMT 2023`
Record UNII	SXW0Z9HO64
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOLOCONIUM

Common Name

English

BENZENEMETHANAMINIUM, N,N,N,4-TETRAMETHYL-.ALPHA.-UNDECYL-

Systematic Name

English

TOLOCONIUM CATION

Common Name

English

AMMONIUM, TRIMETHYL(1-P-TOLYLDODECYL)-

Common Name

English

Toloconium [WHO-DD]

Common Name

English

TOLOCONIUM ION

Common Name

English

Code System Code Type Description

CAS

14054-12-7

Created by admin on Fri Dec 15 17:41:01 GMT 2023 , Edited by admin on Fri Dec 15 17:41:01 GMT 2023

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PUBCHEM

71504

Created by admin on Fri Dec 15 17:41:01 GMT 2023 , Edited by admin on Fri Dec 15 17:41:01 GMT 2023

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EVMPD

SUB04909MIG

Created by admin on Fri Dec 15 17:41:01 GMT 2023 , Edited by admin on Fri Dec 15 17:41:01 GMT 2023

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FDA UNII

SXW0Z9HO64

Created by admin on Fri Dec 15 17:41:01 GMT 2023 , Edited by admin on Fri Dec 15 17:41:01 GMT 2023

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SMS_ID

100000084655

Created by admin on Fri Dec 15 17:41:01 GMT 2023 , Edited by admin on Fri Dec 15 17:41:01 GMT 2023

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