2-(4-isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid

• CAT Number: M097048
• CAS Number: 147597-66-8
• Molecular Formula: C20H26N4O6S
• Molecular Weight: 450.51
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: 2-[4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid
• InChI: InChI=1S/C20H26N4O6S/c25-18(26)11-22-5-6-23(12-19(27)28)10-17(24(8-7-22)13-20(29)30)9-15-1-3-16(4-2-15)21-14-31/h1-4,17H,5-13H2,(H,25,26)(H,27,28)(H,29,30)
• InChIKey: ABEIJMWLNYUWMD-UHFFFAOYSA-N
• SMILES: C1CN(CC(N(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O

2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid (Cat.No:M097048) is a chemical compound with applications in chelation chemistry. It features a triazacyclononane core with an isothiocyanate functional group, making it valuable for binding and isolating metal ions in analytical and biological research. This compound is often used in radiopharmaceuticals for imaging and targeted therapy.