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Details

Stereochemistry ACHIRAL
Molecular Formula C27H42NO2.Cl
Molecular Weight 448.081
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZETHONIUM CHLORIDE

SMILES

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

InChI

InChIKey=UREZNYTWGJKWBI-UHFFFAOYSA-M
InChI=1S/C27H42NO2.ClH/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/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 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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:02:33 UTC 2023
Edited
by admin
on Fri Dec 15 15:02:33 UTC 2023
Record UNII
PH41D05744
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZETHONIUM CHLORIDE
EP   HSDB   II   INCI   INN   MART.   MI   USP   USP-RS   VANDF   WHO-DD  
INN   INCI  
Official Name English
BENZETHONIUM CHLORIDE [EP MONOGRAPH]
Common Name English
BENZETHONIUM CHLORIDE [EP IMPURITY]
Common Name English
BENZETHONIUM CHLORIDE [MI]
Common Name English
BENZETHONIUM CHLORIDE [INCI]
Common Name English
benzethonium chloride [INN]
Common Name English
BENZYLDIMETHYL(2-(2-(P-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)AMMONIUM CHLORIDE
Common Name English
BENZETHONIUM CHLORIDE [USP IMPURITY]
Common Name English
BENZETHONIUM CHLORIDE [USP-RS]
Common Name English
BENZETHONIUM CHLORIDE [HSDB]
Common Name English
PHEMEROL
Brand Name English
BENZETHONIUM CHLORIDE [JAN]
Common Name English
BENZETHONIUM CHLORIDE [II]
Common Name English
BENZETHONIUM CHLORIDE CONCENTRATE [USP MONOGRAPH]
Common Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE
Systematic Name English
BENZETHONIUM CHLORIDE [MART.]
Common Name English
BENZETHONIUM CHLORIDE [VANDF]
Common Name English
PHEMEROL CHLORIDE
Brand Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE (1:1)
Systematic Name English
Benzethonium chloride [WHO-DD]
Common Name English
HYAMINE
Brand Name English
NSC-20200
Code English
NEOSTELIN GREEN
Brand Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 460
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
WHO-ATC D08AJ08
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
WHO-VATC QD08AJ08
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
WHO-ATC D08AJ58
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
WHO-VATC QD08AJ58
Created by admin on Fri Dec 15 15:02:34 UTC 2023 , Edited by admin on Fri Dec 15 15:02:34 UTC 2023
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
EPA PESTICIDE CODE 69122
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
Code System Code Type Description
DRUG BANK
DBSALT001519
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-479-9
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
WIKIPEDIA
BENZETHONIUM CHLORIDE
Created by admin on Fri Dec 15 15:02:34 UTC 2023 , Edited by admin on Fri Dec 15 15:02:34 UTC 2023
PRIMARY
DAILYMED
PH41D05744
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
CHEBI
31264
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
FDA UNII
PH41D05744
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
PUBCHEM
8478
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
MERCK INDEX
m2346
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY Merck Index
RS_ITEM_NUM
1051500
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
INN
1170
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
SMS_ID
100000091941
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
NSC
20200
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
ChEMBL
CHEMBL1182210
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
CAS
121-54-0
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
NCI_THESAURUS
C77025
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
EVMPD
SUB05746MIG
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID6023810
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
RXCUI
40036
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY RxNorm
HSDB
567
Created by admin on Fri Dec 15 15:02:33 UTC 2023 , Edited by admin on Fri Dec 15 15:02:33 UTC 2023
PRIMARY
Related Record Type Details
Structure of BENZETHONIUM CHLORIDE MONOHYDRATE
SALT/SOLVATE -> SALT/SOLVATE
Structure of BENZETHONIUM
PARENT -> SALT/SOLVATE
Structure of BENZETHONIUM OCTYLOXYACETATE
SALT/SOLVATE -> SALT/SOLVATE
Structure of BENZETHONIUM CHLORIDE MONOHYDRATE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of BENZETHONIUM
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