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2D Structure
Also known as: Eovist, Gadoxate, Gadoxate disodium, Gadolinium ethoxybenzyl-dtpa, Moli000482, Q1928394
Molecular Formula
C23H33GdN3O11+3
Molecular Weight
684.8  g/mol
InChI Key
PCZHWPSNPWAQNF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;gadolinium(3+)
2.1.2 InChI
InChI=1S/C23H33N3O11.Gd/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
2.1.3 InChI Key
PCZHWPSNPWAQNF-UHFFFAOYSA-N
2.1.4 Canonical 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.[Gd+3]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Disodium Gadoxetate

2. Eovist

3. Gadolinium (4s)-4-(4-ethoxybenzyl)-3,6,9-tris(carboxylatomethyl)-3,6,9-triazaundecanoic Acid Disodium Salt

4. Gadolinium Ethoxybenzyl Diethylenetriaminepentaacetic Acid

5. Gadolinium Ethoxybenzyl Dtpa

6. Gadoxetate Disodium

7. Gadoxetic Acid

8. Gadoxetic Acid Disodium

9. Gd-eob-dtpa

2.2.2 Depositor-Supplied Synonyms

1. Eovist

2. Gadoxate

3. Gadoxate Disodium

4. Gadolinium Ethoxybenzyl-dtpa

5. Moli000482

6. Q1928394

7. 2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic Acid;gadolinium(3+)

8. Gadolinium-ethoxybenzyl-diethylenetriaminepentaacetic Acid, Disodium S-[4-(4-ethoxybenzyl)-3,6,9-tris[(carboxy-ko)methyl]-3,6,9-triazaundecandioato)(5-)-k3n3,n6,n9,k2o1,o11]gadolinite(2-)

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 684.8 g/mol
Molecular Formula C23H33GdN3O11+3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count20
Exact Mass685.13562 g/mol
Monoisotopic Mass685.13562 g/mol
Topological Polar Surface Area205 Ų
Heavy Atom Count38
Formal Charge3
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameEovist
PubMed HealthGadoxetate (Injection)
Drug ClassesDiagnostic Agent
Drug LabelEOVIST (gadoxetate disodium) is a paramagnetic contrast agent for MRI. EOVIST is provided as a sterile, clear, colorless to pale yellow aqueous solution for intravenous injection.EOVIST contains the active pharmaceutical ingredient gadoxetate disodiu...
Active IngredientGadoxetate disodium
Dosage FormSolution
RouteIntravenous
Strength1.8143gm/10ml (181.43mg/ml); 2.72145gm/15ml (181.43mg/ml)
Market StatusPrescription
CompanyBayer Hlthcare

2 of 2  
Drug NameEovist
PubMed HealthGadoxetate (Injection)
Drug ClassesDiagnostic Agent
Drug LabelEOVIST (gadoxetate disodium) is a paramagnetic contrast agent for MRI. EOVIST is provided as a sterile, clear, colorless to pale yellow aqueous solution for intravenous injection.EOVIST contains the active pharmaceutical ingredient gadoxetate disodiu...
Active IngredientGadoxetate disodium
Dosage FormSolution
RouteIntravenous
Strength1.8143gm/10ml (181.43mg/ml); 2.72145gm/15ml (181.43mg/ml)
Market StatusPrescription
CompanyBayer Hlthcare

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Contrast Media

Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)