Gadoxetate disodiumProduct ingredient forGadoxetic acid
- Name
- Gadoxetate disodium
- Drug Entry
-
Gadoxetic acid
Gadoxetic acid (gadoxetate) is a paramagnetic gadolinium-containing contrast agent in which its salt form, gadoxetate disodium, is used for intravenous injection. Ethoxybenzyl diethylenetriaminepentaacetic acid is the moiety that chelates with a gadolinium ion and forms a stable complex with it to make up the drug. It is marketed by Bayer HealthCare Pharmaceuticals and FDA approved on July 3, 2008.
- Accession Number
- DBSALT000091
- Structure
-
Structure for Gadoxetate disodium (DBSALT000091)
- Synonyms
- Gadoxetate sodium/Gadoxetic acid disodium/Gadoxetic acid sodium salt/Gadoxetic acid, disodium/Sodium gadoxetate
- External IDs
- SHL-569B/ZK 139834/ZK-139834
- UNII
- HOY74VZE0M
- CAS Number
- 135326-22-6
- Weight
-
Average: 725.71
Monoisotopic: 726.076023636 - Chemical Formula
- C23H28GdN3Na2O11
- InChI Key
- SLYTULCOCGSBBJ-UHFFFAOYSA-I
- 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
- IUPAC Name
-
gadolinium(3+) disodium 2-({2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl}({2-[bis(carboxylatomethyl)amino]ethyl})amino)acetate
- SMILES
-
[Na +]。[Na +]。[Gd + 3] .CCOC1 = CC = C (CC (CN (CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)N(CC([O-])=O)CC([O-])=O)C=C1
- External Links
-
- PubChem Compound
- 53240376
- ChemSpider
- 8137544
- Wikipedia
- Gadoxetic_acid
- Predicted Properties
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Property Value Source Water Solubility 0.406 mg/mL ALOGPS logP 2.19 ALOGPS logP -4.1 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 2 Chemaxon pKa (Strongest Basic) 9.22 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 219.6 Å2 Chemaxon Rotatable Bond Count 20 Chemaxon Refractivity 180.88 m3·mol-1 Chemaxon Polarizability 49.99 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon
