Gadolinium Dtpa-4-aminobutane-1,1-diphosphonate
[CAS# 133049-44-2]

Identification

• Name: Gadolinium Dtpa-4-aminobutane-1,1-diphosphonate
• Synonyms: 2-[2-[2-[[2-(4,4-Diphosphonatobutylamino)-2-Oxo-Ethyl]-(2-Oxido-2-Oxo-Ethyl)Amino]Ethyl-(2-Oxido-2-Oxo-Ethyl)Amino]Ethyl-(2-Oxido-2-Oxo-Ethyl)Amino]Acetate; Gadolinium(+3) Cation; Hydron; 2-[2-[2-[[2-(4,4-Diphosphonatobutylamino)-2-Keto-Ethyl]-(2-Keto-2-Oxido-Ethyl)Amino]Ethyl-(2-Keto-2-Oxido-Ethyl)Amino]Ethyl-(2-Keto-2-Oxido-Ethyl)Amino]Acetate; Gadolinium(+3) Cation; Hydron
• Molecular Formula: C₁₈H₃₁GdN₄O₁₅P₂
• Molecular Weight: 762.66
• CAS Registry Number: 133049-44-2
• SMILES: [Gd+3].[H+].[H+].[H+].[H+].[H+].C(C([P]([O-])([O-])=O)[P]([O-])([O-])=O)CCNC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC([O-])=O
• InChI: 1S/C18H34N4O15P2.Gd/c23-13(19-3-1-2-18(38(32,33)34)39(35,36)37)8-21(10-15(26)27)6-4-20(9-14(24)25)5-7-22(11-16(28)29)12-17(30)31;/h18H,1-12H2,(H,19,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H2,32,33,34)(H2,35,36,37);/q;+3/p-3
• InChIKey: MWGJDMWQJHMVHM-UHFFFAOYSA-K