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CAS Number: 60239-18-1
2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid

Structure

 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
Name: 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
Synonyms:
General Information
Product Number: 60239181

CAS Registry Number 60239-18-1
Name:
1,?4,?7,?10-?Tetraazacyclododecan?e-?1,?4,?7,?10-?tetraacetic acid
1,4,7,10-Tetra(carboxymethyl)-1,4,7,10-tetraazacyclododecane
1,4,7,10-Tetraazacyclodecane-1,4,7,10-tetraacetic acid
1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid
DOTA
NSC 681107

 

Chemical Formula: C16H28N4O8
Exact Mass: 404.19
Molecular Weight: 404.42
m/z: 404.19 (100.0%), 405.19 (19.1%), 406.19 (1.9%), 406.20 (1.5%)

 

InChI:InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

InChI Key:WDLRUFUQRNWCPK-UHFFFAOYSA-N

Canonical SMILES:C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Specification

98%
References
  1. (1) Delgado, Rita; Pure and Applied Chemistry 2005, V77(3), P569-579 CAPLUS
  2. (2) Foersterova, Michaela; Dalton Transactions 2007, (5), P535-549 CAPLUS
  3. (3) Taborsky, Petr; Polyhedron 2007, V26(15), P4119-4130 CAPLUS
  4. (4) Moreau, Juliette; Chemistry - A European Journal 2004, V10(20), P5218-5232 CAPLUS
  5. (6) Polarz, Sebastian; Angewandte Chemie, International Edition 2013, V52(51), P13665-13670 CAPLUS
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