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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H44N.Cl
Molecular Weight 334.023
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MECETRONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CC

InChI

InChIKey=KSCHLNBLIAOANF-UHFFFAOYSA-M
InChI=1S/C20H44N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;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 C20H44N
Molecular Weight 298.5701
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 09:09:59 UTC 2023
Edited
by admin
on Sat Dec 16 09:09:59 UTC 2023
Record UNII
S287HG54IX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MECETRONIUM CHLORIDE
Common Name English
ETHYLHEXADECYLDIMETHYLAMMONIUM CHLORIDE
Systematic Name English
1-HEXADECANAMINIUM, N-ETHYL-N,N-DIMETHYL-, CHLORIDE
Systematic Name English
CETYL ETHYLDIMONIUM CHLORIDE
Common Name English
AMMONIUM, ETHYLHEXADECYLDIMETHYL-, CHLORIDE
Systematic Name English
1-HEXADECANAMINIUM, N-ETHYL-N,N-DIMETHYL-, CHLORIDE (1:1)
Systematic Name English
CETYLDIMETHYLETHYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
9923738
Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023
PRIMARY
FDA UNII
S287HG54IX
Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID70432910
Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023
PRIMARY
CAS
13264-41-0
Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY