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Gadoxetate sodium

CAT: 1568-C17743Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C17743Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135326-22-6
SKU
C17743-25mg
Target
Others
Applications
Others
Smiles
CCOC1=CC=C (C=C1) CC (CN (CCN (CC (=O) [O-]) CC (=O) [O-]) CC (=O) [O-]) N (CC (=O) [O-]) CC (=O) [O-].[Na+].[Na+].[Gd+3]
Molecular Formula
C23H28GdN3Na2O11
Additionnal Information
Gadoxetate is a paramagnetic gadolinium-containing contrast agent in which its salt form, gadoxetate disodium, is used for intravenous injection.
Storage Conditions
3 years -20°C powder

Chemical Information

Gadoxetate Disodium

Gadoxetate Disodium is a paramagnetic contrast agent consisting of the disodium salt of the gadolinium ion chelated with the lipophilic moiety ethoxybenzyl (EOB) bound to diethylenetriamine pentaacetic acid (DTPA). When placed in a magnetic field, gadolinium produces a large magnetic moment and so a large local magnetic field, which can enhance the relaxation rate of nearby protons; as a result, the signal intensity of tissue images observed with magnetic resonance imaging (MRI) may be enhanced. Because this agent is preferentially taken up by normal functioning hepatocytes, normal hepatic tissue is enhanced with MRI while tumor tissue is unenhanced. In addition, because this agent is excreted in the bile, it may be used to visualize the biliary system using MRI.

CAS Number135326-22-6
PubChem CID91754427
IUPAC Namedisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Molecular FormulaC23H28GdN3Na2O11
Molecular Weight725.7
Topological Polar Surface Area220
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity746
SMILES
CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Gd+3]
InChI
InChI=1S/C23H33N3O11.Gd.2Na/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;;;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);;;/q;+3;2*+1/p-5
InChIKey
SLYTULCOCGSBBJ-UHFFFAOYSA-I
Chemical Structure
2D Structure
2D structure of Gadoxetate Disodium
CAS: 135326-22-6
CID: 91754427
Formula: C23H28GdN3Na2O11
MW: 725.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight725.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass726.07603
Monoisotopic Mass726.07603
Topological Polar Surface Area220 Ų
Heavy Atom Count40
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
S6488-25mgGadoxetate sodium
564088Gadoxetate Disodium
HY-16219-01Gadoxetate (disodium)
RM-G042401-01Gadoxetate Disodium Impurity A
A18063-100Gadoxetate Disodium 100mg
A18063-5Gadoxetate Disodium 5mg
A18063-10Gadoxetate Disodium 10mg
A18063-200Gadoxetate Disodium 200mg
A18063-50Gadoxetate Disodium 50mg
A18063-25Gadoxetate Disodium 25mg

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