BENZETHONIUM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H42NO2
Molecular Weight	412.6279
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of BENZETHONIUM

Structure Search

SMILES

CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1

InChI

InChIKey=SIYLLGKDQZGJHK-UHFFFAOYSA-N

InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1

HIDE SMILES / InChI

Molecular Formula	C27H42NO2
Molecular Weight	412.6279
Charge	1
Count

Stereochemistry	RACEMIC
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 17:18:49 UTC 2023` Edited by `admin` on `Fri Dec 15 17:18:49 UTC 2023`
Record UNII	1VU15B70BP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZETHONIUM

Common Name

English

BENZETHONIUM ION

Common Name

English

AMMONIUM, BENZYLDIMETHYL(2-(2-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-

Common Name

English

BENZOTHONIUM [VANDF]

Common Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)

Common Name

English

BENZYLDIMETHYL(2-(2-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)AMMONIUM

Common Name

English

Benzethonium [WHO-DD]

Common Name

English

BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-

Systematic Name

English

BENZETHONIUM CATION

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

WHO-ATC

D08AJ58

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

WHO-ATC

R02AA09

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

WHO-ATC

D08AJ08

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

WHO-VATC

QR02AA09

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C87255

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

WIKIPEDIA

Benzethonium

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

FDA UNII

1VU15B70BP

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID5046984

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

CAS

10172-60-8

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

MESH

D001558

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

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RXCUI

1390

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

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RxNorm

DRUG BANK

DB11125

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

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SMS_ID

100000084999

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

PUBCHEM

2335

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

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DRUG CENTRAL

3018

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

EVMPD

SUB00719MIG

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

DAILYMED

1VU15B70BP

Created by admin on Fri Dec 15 17:18:49 UTC 2023 , Edited by admin on Fri Dec 15 17:18:49 UTC 2023

PRIMARY

Related Record Type Details


					147062OTCD

BENZETHONIUM OCTYLOXYACETATE

SALT/SOLVATE -> PARENT


					RS89WU8V92

BENZETHONIUM CHLORIDE MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					PH41D05744

BENZETHONIUM CHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					1VU15B70BP

ACTIVE MOIETY