p-SCN-Bn-DTPA Trihydrochloride Salt (>90%)

CAS: 2614335-77-0

Ref. TR-S200105

Product Information

• Name: p-SCN-Bn-DTPA Trihydrochloride Salt (>90%)
• Synonyms: N-[2-[Bis(carboxymethyl)amino]ethyl]-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine Trihydrochloride, (S)-1-(4-Isothiocyanatobenzyl)diethylenetriamine-N,N,N',N'',N''-pentaacetic Acid Trihydrochloride
• Brand: TRC
• Description: Applications p-SCN-Bn-DOTA, is a Bifunctional chelator, that can be used in the preparation of gadolinium complexes as MRI blood contrast agents.

Chemical properties

• Molecular weight: 540.54 + 3(36.46)
• Formula: C₂₂H₂₈N₄O₁₀S•3(HCl)
• Purity: >90%
• Color/Form: Off White To Light Yellow
• InChI: InChI=1S/C22H28N4O10S.ClH/c27-18(28)9-24(5-6-25(10-19(29)30)11-20(31)32)8-17(26(12-21(33)34)13-22(35)36)7-15-1-3-16(4-2-15)23-14-37;/h1-4,17H,5-13H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);1H/t17-;/m0./s1
• InChI key: InChIKey=VAOYPHGXHKUTHC-KRWDZBQOSA-N
• SMILES: O=C(O)CN(CCN(CC(=O)O)C[C@H](Cc1ccc(N=C=S)cc1)N(CC(=O)O)CC(=O)O)CC(=O)O