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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H48NO2.CH3O4S
Molecular Weight 481.73
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STEAROYL ETHYLTRIMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C

InChI

InChIKey=JYEDCBIXDUJNHA-UHFFFAOYSA-M
InChI=1S/C23H48NO2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4;1-5-6(2,3)4/h5-22H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C23H48NO2
Molecular Weight 370.6327
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
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 01:48:55 GMT 2023
Edited
by admin
on Sat Dec 16 01:48:55 GMT 2023
Record UNII
WRL6E4QEWW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STEAROYL ETHYLTRIMONIUM METHOSULFATE
INCI  
INCI  
Official Name English
SURFACTIVE V 18
Brand Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-((1-OXOOCTADECYL)OXY)-, METHYL SULFATE (1:1)
Common Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-((1-OXOOCTADECYL)OXY)-, METHYL SULFATE
Common Name English
STEAROYL ETHYLTRIMONIUM METHOSULFATE [INCI]
Common Name English
Code System Code Type Description
CAS
114519-87-8
Created by admin on Sat Dec 16 01:48:55 GMT 2023 , Edited by admin on Sat Dec 16 01:48:55 GMT 2023
PRIMARY
PUBCHEM
11329142
Created by admin on Sat Dec 16 01:48:55 GMT 2023 , Edited by admin on Sat Dec 16 01:48:55 GMT 2023
PRIMARY
FDA UNII
WRL6E4QEWW
Created by admin on Sat Dec 16 01:48:55 GMT 2023 , Edited by admin on Sat Dec 16 01:48:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE