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| IUPAC Name: | 2-[6-[(4-aminophenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
| Description: | p-NH2-Bn-DOTA, is a Bifunctional chelator that can be used in the preparation of gadolinium complexes as MRI blood contrast agents. |
| Molecular Weight: | 509.55 |
| Molecular Formula: | C23H35N5O8 |
| Canonical SMILES: | C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N)CC(=O)O)CC(=O)O |
| InChI: | InChI=1S/C23H35N5O8/c24-18-3-1-17(2-4-18)11-19-12-27(15-22(33)34)8-7-25(13-20(29)30)5-6-26(14-21(31)32)9-10-28(19)16-23(35)36/h1-4,19H,5-16,24H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36) |
| InChI Key: | VEYDUAGNNSZVTN-UHFFFAOYSA-N |
| References: | Grogna, M. et a. Polymer Chemistry, Col.1, issue9, P: 1485-1490 (2010). |
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