Cas no 15213-88-4 (Gadolinate(1-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, (OC-6-21)- (9CI))

Gadolinate(1-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, (OC-6-21)- (9CI) structure
15213-88-4 structure
Product Name:Gadolinate(1-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, (OC-6-21)- (9CI)
CAS No:15213-88-4
MF:C10H12GdN2O8
MW:445.460883140564
CID:159541
PubChem ID:84838
Update Time:2025-04-19

Gadolinate(1-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, (OC-6-21)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Gadolinate(1-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, (OC-6-21)- (9CI)
    • gadolinium EDTA
    • acetate, 2,2',2'',2'''-(1,2-ethanediyldinitrilo)tetrakis-, gadolinium salt (1:1)
    • Gadolinium edetate
    • 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;gadolinium(3+)
    • Gd EDTA
    • Gd-EDTA
    • 15213-88-4
    • MOLI000603
    • Inchi： 1S/C10H16N2O8.Gd/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+3/p-4
    • InChI Key： PFKHAHJIBHFAIK-UHFFFAOYSA-J
    • SMILES： [Gd+3].[O-]C(CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-])=O

Computed Properties

  • Exact Mass: 445.98348g/mol
  • Monoisotopic Mass: 445.98348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 293
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 167?2

Gadolinate(1-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, (OC-6-21)- (9CI) Related Literature

15213-88-4 (Gadolinate(1-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, (OC-6-21)- (9CI)) Related Products

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