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Gadodiamide

CAT: 1596-AR-G01874-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01874-02Size:25 Units
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CAS Number
131410-48-5
Synonyms
6- (Carboxylatomethyl) -3,9-bis[ (methylcarbamoyl) methyl]-3,6,9-triazaundecanedioato-Îo3N3, N6, N9-gadolinium (III) (as per EP) ; Gd-DTPA-BMA
Molecular Formula
C16H26GdN5O8
Molecular Weight
573.66
API Name
Gadodiamide

Chemical Information

Gadodiamide

Gadodiamide is a linear, non-ionic gadolinium-based contrast agent (GBCA) that is used in magnetic resonance imaging (MRI) procedures to assist in the visualization of blood vessels. GBCAs constitute the largest group of MR agents, and they are thought to be safer than nonionic iodinated contrast agents. Approved by the FDA in 1993, gadodiamide is the first non-ionic GBCA to be used. However, since linear, non-ionic GBCA is less stable than macrocyclic or ionic GBCA, gadodiamide can potentially lead to more gadolinium retention in the brain and thus more likely to cause side effects.

CAS Number131410-48-5
PubChem CID153921
IUPAC Name2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
Molecular FormulaC16H26GdN5O8
Molecular Weight573.66
Topological Polar Surface Area188
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count30
Formal Charge0
Complexity527
SMILES
CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
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
InChIKey
HZHFFEYYPYZMNU-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Gadodiamide
CAS: 131410-48-5
CID: 153921
Formula: C16H26GdN5O8
MW: 573.66
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass574.10225
Monoisotopic Mass574.10225
Topological Polar Surface Area188 Ų
Heavy Atom Count30
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
451036-01Gadodiamide
HY-B0787RGadodiamide (Standard)
A10415-500Gadodiamide 500mg
GTR19184333-01Gadodiamide Hydrate
E1KS1751Gadodiamide (Omniscan)

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