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Details

Stereochemistry ACHIRAL
Molecular Formula C21H38N.Cl
Molecular Weight 339.986
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZODODECINIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChIKey=JBIROUFYLSSYDX-UHFFFAOYSA-M
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;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 C21H38N
Molecular Weight 304.5331
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 16:15:17 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:17 UTC 2023
Record UNII
Y5A751G47H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZODODECINIUM CHLORIDE
INN   MART.   WHO-DD  
INN  
Official Name English
N-TETRADECYL DIMETHYL ETHYLBENZYL AMMONIUM CHLORIDE
Systematic Name English
NSC-85508
Code English
BENZODODECINIUM CHLORIDE [MART.]
Common Name English
BENZYLDODECYLDIMETHYLAMMONIUM CHLORIDE
Systematic Name English
BENZYLDIMETHYLDODECYLAMMONIUM CHLORIDE
Systematic Name English
Benzododecinium chloride [WHO-DD]
Common Name English
benzododecinium chloride [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
CFR 21 CFR 172.165
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
Code System Code Type Description
INN
1172
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
NSC
85508
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
MESH
C015163
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
NCI_THESAURUS
C79712
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
DAILYMED
Y5A751G47H
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
FDA UNII
Y5A751G47H
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
PUBCHEM
8753
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID2040787
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
ChEMBL
CHEMBL1907001
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
SMS_ID
100000086369
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
EVMPD
SUB05759MIG
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
RXCUI
1311592
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY RxNorm
CAS
139-07-1
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
CHEBI
167208
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-351-5
Created by admin on Fri Dec 15 16:15:17 UTC 2023 , Edited by admin on Fri Dec 15 16:15:17 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY