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Details

Stereochemistry ACHIRAL
Molecular Formula C25H51N2O.C2H5O4S
Molecular Weight 520.809
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OLEAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE

SMILES

CCOS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC

InChI

InChIKey=ORVXZBMRHOUPLQ-HPWRNOGASA-N
InChI=1S/C25H50N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2;1-2-6-7(3,4)5/h13-14H,5-12,15-24H2,1-4H3;2H2,1H3,(H,3,4,5)/b14-13-;

HIDE SMILES / InChI

Molecular Formula C25H51N2O
Molecular Weight 395.6852
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C2H5O4S
Molecular Weight 125.124
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 01:28:04 GMT 2023
Edited
by admin
on Sat Dec 16 01:28:04 GMT 2023
Record UNII
13ES54H6FL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OLEAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE
INCI  
INCI  
Official Name English
SULFURIC ACID, MONOETHYL ESTER, ION(1-), (Z)-N-ETHYL-N,N-DIMETHYL-3-((1-OXO-9-OCTADECENYL)AMINO)-1-PROPANAMINIUM
Common Name English
MACKERNIUM OAPDES
Brand Name English
OLEAMIDOPROPYL ETHYLDIMONIUM ETHOSULFATE [INCI]
Common Name English
1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-(((9Z)-1-OXO-9-OCTADECENYL)AMINO)-, ETHYL SULFATE
Common Name English
1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-(((9Z)-1-OXO-9-OCTADECEN-1-YL)AMINO)-, ETHYL SULFATE (1:1)
Common Name English
N-ETHYL OLEAMIDOPROPYLAMINE ETHYLSULFATE
Systematic Name English
Code System Code Type Description
CAS
70102-50-0
Created by admin on Sat Dec 16 01:28:04 GMT 2023 , Edited by admin on Sat Dec 16 01:28:04 GMT 2023
PRIMARY
FDA UNII
13ES54H6FL
Created by admin on Sat Dec 16 01:28:04 GMT 2023 , Edited by admin on Sat Dec 16 01:28:04 GMT 2023
PRIMARY
PUBCHEM
71587245
Created by admin on Sat Dec 16 01:28:04 GMT 2023 , Edited by admin on Sat Dec 16 01:28:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE