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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H36N4O8
Molecular Weight 460.5218
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate

SMILES

CC(C)(C)OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1

InChI

InChIKey=UTRYHKPHZFLLBR-UHFFFAOYSA-N
InChI=1S/C20H36N4O8/c1-20(2,3)32-19(31)15-24-10-8-22(13-17(27)28)6-4-21(12-16(25)26)5-7-23(9-11-24)14-18(29)30/h4-15H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate
Systematic Name English
1-(1,1-Dimethylethyl) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
Systematic Name English
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(1,1-dimethylethyl) ester
Systematic Name English
Code System Code Type Description
PUBCHEM
118103271
Created by admin on Sat Dec 16 19:17:54 GMT 2023 , Edited by admin on Sat Dec 16 19:17:54 GMT 2023
PRIMARY
CAS
1516879-90-5
Created by admin on Sat Dec 16 19:17:54 GMT 2023 , Edited by admin on Sat Dec 16 19:17:54 GMT 2023
PRIMARY
FDA UNII
3EUA87732C
Created by admin on Sat Dec 16 19:17:54 GMT 2023 , Edited by admin on Sat Dec 16 19:17:54 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966