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

Details

Stereochemistry ACHIRAL
Molecular Formula C43H88N3O5.CH3O4S
Molecular Weight 838.273
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPALMITYLAMIDOETHYL(DIETHOXYLATED-HYDROXYETHYL)MONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CCNC(=O)CCCCCCCCCCCCCCC)CCOCCOCCO

InChI

InChIKey=FPLKLOCBQVSYCI-UHFFFAOYSA-N
InChI=1S/C43H87N3O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-42(48)44-32-34-46(3,36-38-50-40-41-51-39-37-47)35-33-45-43(49)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h47H,4-41H2,1-3H3,(H-,44,45,48,49);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C43H88N3O5
Molecular Weight 727.1759
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
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 Tue Apr 01 22:39:45 GMT 2025
Edited
by admin
on Tue Apr 01 22:39:45 GMT 2025
Record UNII
840GWS2NY3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PEG-3 DIPALMITOYL AMIDOETHYLMONIUM METHOSULFATE
Preferred Name English
DIPALMITYLAMIDOETHYL(DIETHOXYLATED-HYDROXYETHYL)MONIUM METHOSULFATE
Common Name English
BIS(2-(HEXADECANOYLAMINO)ETHYL)-(2-(2-(2-HYDROXYETHOXY)ETHOXY)ETHYL)-METHYL-AMMONIUMMETHYL SULFATE
Systematic Name English
Code System Code Type Description
FDA UNII
840GWS2NY3
Created by admin on Tue Apr 01 22:39:45 GMT 2025 , Edited by admin on Tue Apr 01 22:39:45 GMT 2025
PRIMARY
PUBCHEM
134694313
Created by admin on Tue Apr 01 22:39:45 GMT 2025 , Edited by admin on Tue Apr 01 22:39:45 GMT 2025
PRIMARY