Product Name

  • Name

    Gadodiamide

  • EINECS
  • CAS No. 131410-48-5
  • Article Data1
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point
  • Formula C16H26GdN5O8
  • Boiling Point 769.1 °C at 760 mmHg
  • Molecular Weight 573.661
  • Flash Point 419 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 131410-48-5 (Gadodiamide)
  • Hazard Symbols
  • Synonyms DV 7572;Gadolinium-DTPA-BMA;Gd DTPA-BMA;S 041;
  • PSA 146.82000
  • LogP -2.99760

Synthetic route

gadolinium(III) chloride
10138-52-0

gadolinium(III) chloride

H3DTPA-BMA

H3DTPA-BMA

gadodiamide
131410-48-5

gadodiamide

Conditions
ConditionsYield
With NaOH In hydrogenchloride; water soln. of GdCl3 in aq. HCl mixed with aq. soln. of ligand, pH adjusted to6 by NaOH;
gadodiamide
131410-48-5

gadodiamide

triethylenetetramine-N,N,N',N'',N''',N'''-hexaacetic acid
869-52-3

triethylenetetramine-N,N,N',N'',N''',N'''-hexaacetic acid

Gd(triethylenetetraaminehexaacetate)(3-)
129648-61-9, 741237-26-3

Gd(triethylenetetraaminehexaacetate)(3-)

Conditions
ConditionsYield
Kinetics; Gd-complex reacted with ligand at 25°C pH 6.5-11;

Gadodiamide Chemical Properties

IUPAC Name: 2-[Bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(3+)
Synonyms of Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]- (CAS NO.131410-48-5): Gadodiamide [USP] ; DV 7572 ; Gadodiamide ; Gadolinium-DTPA-BMA ; Gd DTPA-BMA ; HSDB 7547 ; Omniscan
CAS NO: 131410-48-5
Molecular Formula: C16H26GdN5O8
Molecular Weight: 573.6563
Molecular Structure:

H bond acceptors: 13
H bond donors: 5
Freely Rotating Bonds: 16
Polar Surface Area: 162.24 Å2
Flash Point: 419 °C
Enthalpy of Vaporization: 121.79 kJ/mol
Boiling Point: 769.1 °C at 760 mmHg
Vapour Pressure of Gadolinium,[5,8-bis[(carboxy-kO)methyl]-11-[2-(methylamino)-2-(oxo-kO)ethyl]-3-(oxo-kO)-2,5,8,11-tetraazatridecan-13-oato(3-)-kN5,kN8,kN11,kO13]- (CAS NO.131410-48-5): 6.54E-26 mmHg at 25°C 
SMILES: [Gd+3].[O-]C(=O)CN(CC(=O)NC)CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O 
InChI: InChI=1/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3
InChIKey: HZHFFEYYPYZMNU-DFZHHIFOAX
Std. InChI: InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3 
Std. InChIKey: HZHFFEYYPYZMNU-UHFFFAOYSA-K

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