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Gadopentetic acid

CAT: 0957-E7746-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E7746-100mgSize:100 mg
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CAS Number
80529-93-7
Synonyms
Gd-DTPA, gadolinium complex
Additionnal Information
Gadopentetic acid (Gd-DTPA) is a paramagnetic contrast agent. Gadopentetic acid commonly implemented by a bolus intravenous injection in Dynamic contrast-enhanced MRI (DCE-MRI) studies. Gadopentetic acid also can be used for the research of nephrogenic systemic fibrosis (NSF) .
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Gadopentetic Acid

Gadopentetate is a gadolinium coordination entity. It has a role as a MRI contrast agent.

CAS Number80529-93-7
PubChem CID6857474
IUPAC Name2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Molecular FormulaC14H20GdN3O10
Molecular Weight547.57
Topological Polar Surface Area205
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3]
InChI
InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3
InChIKey
IZOOGPBRAOKZFK-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Gadopentetic Acid
CAS: 80529-93-7
CID: 6857474
Formula: C14H20GdN3O10
MW: 547.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.57
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Exact Mass548.03898
Monoisotopic Mass548.03898
Topological Polar Surface Area205 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
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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