Mn(II)-DO3A sodium

• CAT Number: I040020
• CAS Number: 120066-53-7
• Molecular Formula: C14H23MnN4NaO6
• Molecular Weight: 421.28
• Purity: ≥95%
• Synonyms: sodium;2-[4,7-bis(carboxylatomethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetate;manganese(2+)
• InChI: InChI=1S/C14H25N4O6.Mn.Na/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;;/h1-11H2,(H,19,20)(H,21,22)(H,23,24);;/q-1;+2;+1/p-3
• InChIKey: OVRMTVHRWWZGAL-UHFFFAOYSA-K
• SMILES: C1CN(CCN(CCN(CC[N-]1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Mn+2]

Mn(II)-DO3A sodium is a Mn(II) complex and a potential alternative to Gd-based MRI contrast agents[1].

Reference

[1]. Artali R, et al. Solution thermodynamics, computational and relaxometric studies of ditopic DO3A-based Mn (II) complexes[J]. New Journal of Chemistry, 2015, 39(1): 539-547.