U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H41N2O.Cl
Molecular Weight 397.037
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METALKONIUM CHLORIDE

SMILES

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

InChI

InChIKey=COLOBWZNRYGBRU-UHFFFAOYSA-N
InChI=1S/C23H40N2O.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-24-23(26)21-25(2,3)20-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C23H41N2O
Molecular Weight 361.5844
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

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

Targets

Targets

Primary TargetPharmacologyConditionPotency
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:55:27 GMT 2025
Edited
by admin
on Mon Mar 31 17:55:27 GMT 2025
Record UNII
IM6BZ8F57J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STRAMINOL
Preferred Name English
METALKONIUM CHLORIDE
INN   MART.  
INN  
Official Name English
METALKONIUM CHLORIDE [MART.]
Common Name English
DODECARBONIUM CHLORIDE [MI]
Common Name English
metalkonium chloride [INN]
Common Name English
BENZYL DODECYLCARBAMOYLMETHYL DIMETHYL AMMONIUM CHLORIDE
Systematic Name English
THEOTEX
Brand Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 69159
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
NCI_THESAURUS C83486
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
Code System Code Type Description
NCI_THESAURUS
C83944
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
INN
6367
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID20878647
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
MERCK INDEX
m155
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY Merck Index
EVMPD
SUB08804MIG
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
SMS_ID
100000081213
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
ChEMBL
CHEMBL2110955
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
FDA UNII
IM6BZ8F57J
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
CAS
100-95-8
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
PUBCHEM
7535
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-904-2
Created by admin on Mon Mar 31 17:55:27 GMT 2025 , Edited by admin on Mon Mar 31 17:55:27 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY