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Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate

ALDRICH/75061 - ≥95.0% (CHN)

Synonym: DOTA-tri-t-Bu-ester

CAS Number: 137076-54-1
Empirical Formula (Hill Notation): C28H52N4O8
Molecular Weight: 572.73
MDL Number: MFCD02259697
Linear Formula: C28H52N4O8
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-75061-100MG-F 100 mg
 $189.00
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assay ≥95.0% (CHN)
form lumps
functional group carboxylic acid
  ester
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)
InChI key RVUXZXMKYMSWOM-UHFFFAOYSA-N
Quality Level 100 
SMILES string CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(O)=O
Application: Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate (tri BOC-DOTA) can be employed as a reactant to prepare:
•  Gadolinium ion functionalized with DOTA-LAE (lactobionic acid-ethylenediamine), which is used as a contrast agent for magnetic resonance imaging (MRI).
•  DOTA-conjugates of ursolic acid and ZD2 peptide 64Cu-DOTA conjugates.
Packaging: 100 mg in poly bottle
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥95.0% (CHN)
UNSPSC 12352108

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