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Details

Stereochemistry MIXED
Molecular Formula C51H99N2O6.CH3O4S
Molecular Weight 947.439
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIOLEOYL EDETOLMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCC\C=C/CCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCC\C=C/CCCCCCCC)CC(C)O

InChI

InChIKey=UBRONROYHPKBIP-PBAYCENZSA-M
InChI=1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h22-25,46-49,54-55H,8-21,26-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b24-22-,25-23-;

HIDE SMILES / InChI

Approval Year

Name Type Language
2-HYDROXY-N-(2-((2-HYDROXYPROPYL)(2-(OLEOYLOXY)PROPYL)AMINO)ETHYL)-N-METHYL-N-(2-(OLEOYLOXY)PROPYL)PROPAN-1-AMINIUM METHYL SULFATE
Preferred Name English
DIOLEOYL EDETOLMONIUM METHOSULFATE
INCI  
INCI  
Official Name English
1-PROPANAMINIUM, 2-HYDROXY-N-(2-((2-HYDROXYPROPYL)(2-((1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL)AMINO)ETHYL)-N-METHYL-N-(2-((1-OXO-9-OCTADECEN-1-YL)OXY)PROPYL)-, METHYL SULFATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
AKH18GGW2E
Created by admin on Wed Apr 02 13:50:35 GMT 2025 , Edited by admin on Wed Apr 02 13:50:35 GMT 2025
PRIMARY
PUBCHEM
86278238
Created by admin on Wed Apr 02 13:50:35 GMT 2025 , Edited by admin on Wed Apr 02 13:50:35 GMT 2025
PRIMARY
CAS
111030-96-7
Created by admin on Wed Apr 02 13:50:35 GMT 2025 , Edited by admin on Wed Apr 02 13:50:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID201021227
Created by admin on Wed Apr 02 13:50:35 GMT 2025 , Edited by admin on Wed Apr 02 13:50:35 GMT 2025
PRIMARY