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Details

Stereochemistry ACHIRAL
Molecular Formula C28H52N4O8
Molecular Weight 572.7345
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tri-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)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

InChI

InChIKey=RVUXZXMKYMSWOM-UHFFFAOYSA-N
InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)

HIDE SMILES / InChI

Molecular Formula C28H52N4O8
Molecular Weight 572.7345
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 Mon Mar 31 23:10:07 GMT 2025
Edited
by admin
on Mon Mar 31 23:10:07 GMT 2025
Record UNII
CVY7P26TWY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOTA(OBu-t)3
Preferred Name English
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
Common Name English
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester
Systematic Name English
Tri-tert-Bu-DOTA
Common Name English
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-dimethylethyl) ester
Systematic Name English
Code System Code Type Description
PUBCHEM
11606627
Created by admin on Mon Mar 31 23:10:07 GMT 2025 , Edited by admin on Mon Mar 31 23:10:07 GMT 2025
PRIMARY
CAS
137076-54-1
Created by admin on Mon Mar 31 23:10:07 GMT 2025 , Edited by admin on Mon Mar 31 23:10:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID90469329
Created by admin on Mon Mar 31 23:10:07 GMT 2025 , Edited by admin on Mon Mar 31 23:10:07 GMT 2025
PRIMARY
FDA UNII
CVY7P26TWY
Created by admin on Mon Mar 31 23:10:07 GMT 2025 , Edited by admin on Mon Mar 31 23:10:07 GMT 2025
PRIMARY