Gadofosveset trisodium
[CAS# 193901-90-5]

Identification

• Name: Gadofosveset trisodium
• Synonyms: Trisodium; 2-[2-[[(2R)-2-[Bis(2-Oxido-2-Oxo-Ethyl)Amino]-3-[(4,4-Diphenylcyclohexoxy)-Oxido-Phosphoryl]Oxy-Propyl]-(2-Oxido-2-Oxo-Ethyl)Amino]Ethyl-(2-Oxido-2-Oxo-Ethyl)Amino]Acetate; Gadolinium(+3) Cation; Hydrate; Trisodium; 2-[2-[[(2R)-2-[Bis(2-Oxido-2-Oxoethyl)Amino]-3-[(4,4-Diphenylcyclohexoxy)-Oxidophosphoryl]Oxypropyl]-(2-Oxido-2-Oxoethyl)Amino]Ethyl-(2-Oxido-2-Oxoethyl)Amino]Acetate
• Molecular Formula: C₃₃H₄₀GdN₃Na₃O₁₅P
• Molecular Weight: 975.88
• CAS Registry Number: 193901-90-5
• SMILES: [Gd+3].[C@H](N(CC([O-])=O)CC([O-])=O)(CO[P](OC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)([O-])=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].O
• InChI: 1S/C33H44N3O14P.Gd.3Na.H2O/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;;1H2/q;+3;3*+1;/p-6/t26-;;;;;/m1...../s1
• InChIKey: PIZALBORPSCYJU-QSQMUHTISA-H

Properties

• Boiling point: 954.8°C at 760 mmHg (Cal.)
• Flash point: 531.3°C (Cal.)