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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H47NO6
Molecular Weight 469.6545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)\C=C\C(O)=O

InChI

InChIKey=ADLXKXIDPBSDJR-VHEBQXMUSA-N
InChI=1S/C26H47NO6/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)/b19-18+

HIDE SMILES / InChI

Molecular Formula C26H47NO6
Molecular Weight 469.6545
Charge 0
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 20:23:44 GMT 2025
Edited
by admin
on Wed Apr 02 20:23:44 GMT 2025
Record UNII
2Q9K7N8XM6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl]maleic acid
Systematic Name English
2-Butenedioic acid (2Z)-, 1-[2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl] ester
Preferred Name English
Code System Code Type Description
FDA UNII
2Q9K7N8XM6
Created by admin on Wed Apr 02 20:23:44 GMT 2025 , Edited by admin on Wed Apr 02 20:23:44 GMT 2025
PRIMARY
CAS
780701-81-7
Created by admin on Wed Apr 02 20:23:44 GMT 2025 , Edited by admin on Wed Apr 02 20:23:44 GMT 2025
PRIMARY
PUBCHEM
6437142
Created by admin on Wed Apr 02 20:23:44 GMT 2025 , Edited by admin on Wed Apr 02 20:23:44 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT