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Details

Stereochemistry ACHIRAL
Molecular Formula C26H46NO6.H4N
Molecular Weight 486.685
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ammonium 2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]maleate

SMILES

[NH4+].CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)\C=C\C([O-])=O

InChI

InChIKey=QDKFUFOGZSSRJW-LTRPLHCISA-N
InChI=1S/C26H47NO6.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(20-22-28)21-23-33-26(32)19-18-25(30)31;/h18-19,28H,2-17,20-23H2,1H3,(H,30,31);1H3/b19-18+;

HIDE SMILES / InChI

Molecular Formula H4N
Molecular Weight 18.0385
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H46NO6
Molecular Weight 468.6465
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:14:05 GMT 2025
Edited
by admin
on Wed Apr 02 19:14:05 GMT 2025
Record UNII
JT4RE7P6WJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ammonium 2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]maleate
Systematic Name English
2-Butenedioic acid (2Z)-,1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl] ester,ammonium salt (1:1)
Preferred Name English
Azanium;4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxobut-2-enoate
Systematic Name English
Code System Code Type Description
FDA UNII
JT4RE7P6WJ
Created by admin on Wed Apr 02 19:14:05 GMT 2025 , Edited by admin on Wed Apr 02 19:14:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID101340644
Created by admin on Wed Apr 02 19:14:05 GMT 2025 , Edited by admin on Wed Apr 02 19:14:05 GMT 2025
PRIMARY
CAS
67815-97-8
Created by admin on Wed Apr 02 19:14:05 GMT 2025 , Edited by admin on Wed Apr 02 19:14:05 GMT 2025
PRIMARY
PUBCHEM
6437141
Created by admin on Wed Apr 02 19:14:05 GMT 2025 , Edited by admin on Wed Apr 02 19:14:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE