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Details

Stereochemistry ACHIRAL
Molecular Formula C47H84N3O5.CH3O4S
Molecular Weight 882.284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 6
Charge 0

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

SMILES

COS([O-])(=O)=O.CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCC[N+](C)(CCNC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)CCOCCOCCO

InChI

InChIKey=NPNOPRXLZGURPT-CYLXIOFTSA-N
InChI=1S/C47H83N3O5.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/h6-9,12-15,18-21,51H,4-5,10-11,16-17,22-45H2,1-3H3,(H-,48,49,52,53);1H3,(H,2,3,4)/b8-6-,9-7-,14-12-,15-13-,20-18-,21-19-;

HIDE SMILES / InChI

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

Molecular Formula C47H84N3O5
Molecular Weight 771.187
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 6
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:07:19 GMT 2023
Edited
by admin
on Sat Dec 16 15:07:19 GMT 2023
Record UNII
PWG9379OTA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DILINOLENYLAMIDOETHYL(DIETHOXYLATED-HYDROXYETHYL)MONIUM METHOSULFATE
Common Name English
PEG-3 DILINOLENOYLAMIDOETHYLMONIUM METHOSULFATE
Common Name English
2-(2-(2-HYDROXYETHOXY)ETHOXY)ETHYL-METHYL-BIS(2-(((9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYL)AMINO)ETHYL)AMMONIUMMETHYL SULFATE
Systematic Name English
Code System Code Type Description
PUBCHEM
134694305
Created by admin on Sat Dec 16 15:07:19 GMT 2023 , Edited by admin on Sat Dec 16 15:07:19 GMT 2023
PRIMARY
FDA UNII
PWG9379OTA
Created by admin on Sat Dec 16 15:07:19 GMT 2023 , Edited by admin on Sat Dec 16 15:07:19 GMT 2023
PRIMARY