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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H44NO2.Cl
Molecular Weight 378.033
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYL BETAINATE CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C

InChI

InChIKey=BOJMFXHREPVXFN-UHFFFAOYSA-M
InChI=1S/C21H44NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20-22(2,3)4;/h5-20H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C21H44NO2
Molecular Weight 342.5796
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:08:50 GMT 2023
Edited
by admin
on Sat Dec 16 00:08:50 GMT 2023
Record UNII
XLM3K6M5SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETYL BETAINATE CHLORIDE
INCI  
INCI  
Official Name English
BETAINESTER C16
Brand Name English
ETHANAMINIUM, 2-(HEXADECYLOXY)-N,N,N-TRIMETHYL-2-OXO-, CHLORIDE (1:1)
Systematic Name English
CETYL BETAINATE CHLORIDE [INCI]
Common Name English
ETHANAMINIUM, 2-(HEXADECYLOXY)-N,N,N-TRIMETHYL-2-OXO-, CHLORIDE
Systematic Name English
BETAINE CETYL ESTER CHLORIDE
Common Name English
(HEXADECYLOXYCARBONYLMETHYL)TRIMETHYLAMMONIUM CHLORIDE
Systematic Name English
(CARBOXYMETHYL)TRIMETHYLAMMONIUM CHLORIDE, HEXADECYL ESTER
Common Name English
Code System Code Type Description
CAS
52132-48-6
Created by admin on Sat Dec 16 00:08:50 GMT 2023 , Edited by admin on Sat Dec 16 00:08:50 GMT 2023
PRIMARY
PUBCHEM
11326397
Created by admin on Sat Dec 16 00:08:50 GMT 2023 , Edited by admin on Sat Dec 16 00:08:50 GMT 2023
PRIMARY
FDA UNII
XLM3K6M5SG
Created by admin on Sat Dec 16 00:08:50 GMT 2023 , Edited by admin on Sat Dec 16 00:08:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID60200140
Created by admin on Sat Dec 16 00:08:50 GMT 2023 , Edited by admin on Sat Dec 16 00:08:50 GMT 2023
PRIMARY