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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H26N4O6
Molecular Weight 346.3794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid

SMILES

OC(=O)CN1CCNCCN(CC(O)=O)CCN(CC(O)=O)CC1

InChI

InChIKey=HHLZCENAOIROSL-UHFFFAOYSA-N
InChI=1S/C14H26N4O6/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24)

HIDE SMILES / InChI

Molecular Formula C14H26N4O6
Molecular Weight 346.3794
Charge 0
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 Wed Apr 02 17:51:15 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:15 GMT 2025
Record UNII
A6DV6KJV7Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane
Preferred Name English
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
107830
Created by admin on Wed Apr 02 17:51:15 GMT 2025 , Edited by admin on Wed Apr 02 17:51:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID60276042
Created by admin on Wed Apr 02 17:51:15 GMT 2025 , Edited by admin on Wed Apr 02 17:51:15 GMT 2025
PRIMARY
CAS
114873-37-9
Created by admin on Wed Apr 02 17:51:15 GMT 2025 , Edited by admin on Wed Apr 02 17:51:15 GMT 2025
PRIMARY
FDA UNII
A6DV6KJV7Z
Created by admin on Wed Apr 02 17:51:15 GMT 2025 , Edited by admin on Wed Apr 02 17:51:15 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT