BENZETHONIUM CHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H42NO2.Cl.H2O
Molecular Weight	466.096
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZETHONIUM CHLORIDE MONOHYDRATE

Structure Search

SMILES

O.[Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1

InChI

InChIKey=VAPZFIMSURJAMN-UHFFFAOYSA-M

InChI=1S/C27H42NO2.ClH.H2O/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;1H;1H2/q+1;;/p-1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 `Sat Dec 16 09:34:40 UTC 2023` Edited by `admin` on `Sat Dec 16 09:34:40 UTC 2023`
Record UNII	RS89WU8V92
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZETHONIUM CHLORIDE MONOHYDRATE

Common Name

English

PHEMEROL CHLORIDE MONOHYDRATE

Common Name

English

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

21644026

Created by admin on Sat Dec 16 09:34:41 UTC 2023 , Edited by admin on Sat Dec 16 09:34:41 UTC 2023

PRIMARY

PUBCHEM

FDA UNII

RS89WU8V92

Created by admin on Sat Dec 16 09:34:41 UTC 2023 , Edited by admin on Sat Dec 16 09:34:41 UTC 2023

PRIMARY

CAS

5929-09-9

Created by admin on Sat Dec 16 09:34:41 UTC 2023 , Edited by admin on Sat Dec 16 09:34:41 UTC 2023

PRIMARY

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