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

Details

Stereochemistry ACHIRAL
Molecular Formula C47H96N3O5.CH3O4S
Molecular Weight 894.379
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEG-3 DISTEAROYLAMIDOETHYLMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CCNC(=O)CCCCCCCCCCCCCCCCC)CCOCCOCCO

InChI

InChIKey=KQRCDMARSQTZSZ-UHFFFAOYSA-N
InChI=1S/C47H95N3O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46(52)48-36-38-50(3,40-42-54-44-45-55-43-41-51)39-37-49-47(53)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h51H,4-45H2,1-3H3,(H-,48,49,52,53);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C47H96N3O5
Molecular Weight 783.2822
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 20:09:21 GMT 2023
Edited
by admin
on Sat Dec 16 20:09:21 GMT 2023
Record UNII
395MHJ5PUR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PEG-3 DISTEAROYLAMIDOETHYLMONIUM METHOSULFATE
INCI  
INCI  
Official Name English
DISTEARYLAMIDOETHYL(DIETHOXYLATED-HYDROXYETHYL)MONIUM METHOSULFATE
Common Name English
PEG-3 DISTEAROYLAMIDOETHYLMONIUM METHOSULFATE [INCI]
Common Name English
Code System Code Type Description
DAILYMED
395MHJ5PUR
Created by admin on Sat Dec 16 20:09:21 GMT 2023 , Edited by admin on Sat Dec 16 20:09:21 GMT 2023
PRIMARY
PUBCHEM
119026108
Created by admin on Sat Dec 16 20:09:21 GMT 2023 , Edited by admin on Sat Dec 16 20:09:21 GMT 2023
PRIMARY
RXCUI
1427016
Created by admin on Sat Dec 16 20:09:21 GMT 2023 , Edited by admin on Sat Dec 16 20:09:21 GMT 2023
PRIMARY RxNorm
FDA UNII
395MHJ5PUR
Created by admin on Sat Dec 16 20:09:21 GMT 2023 , Edited by admin on Sat Dec 16 20:09:21 GMT 2023
PRIMARY