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Gadoxetate Disodium

CAT: 1299-RM-G042408-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G042408-01Size:10 mg
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CAS Number
135326-22-6
Synonyms
Gadolinate (2-), [N-[ (2S) -2-[bis[ (carboxy-κO) methyl]amino-κN]-3- (4-ethoxyphenyl) propyl]-N-[2-[bis[ (carboxy-κO) methyl]amino-κN]ethyl]glycinato (5-) - κN, κO]-, sodium (1:2), (SA-8-11252634) -
Molecular Formula
C23H33N3O11*Gd*Na2
Molecular Weight
679.74*45.98
Target Alternative Name
Gadoxetate
Product Name Synonym
Gadolinate (2-), [N-[ (2S) -2-[bis[ (carboxy-κO) methyl]amino-κN]-3- (4-ethoxyphenyl) propyl]-N-[2-[bis[ (carboxy-κO) methyl]amino-κN]ethyl]glycinato (5-) - κN, κO]-, sodium (1:2), (SA-8-11252634) -

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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564088Gadoxetate Disodium
HY-16219-01Gadoxetate (disodium)
A18063-100Gadoxetate Disodium 100mg
A18063-5Gadoxetate Disodium 5mg
A18063-10Gadoxetate Disodium 10mg
A18063-200Gadoxetate Disodium 200mg
A18063-50Gadoxetate Disodium 50mg
A18063-25Gadoxetate Disodium 25mg
AR-G01976-01Gadoxetate Disodium Impurity 6
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