Structure via PubChem · Public domain (PubChem)
gadoxetic acid
Sign in to saveAlso known as Gadoxetate, Gd-EOB-DTPA
complex of gadolinium by a chelating agent derived from DTPA
Chemical data
- Formula
- C23H30GdN3O11
- Molecular weight
- 681.7 g/mol
- IUPAC name
- 2-[[(2S)-2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron
- SMILES
- [H+].[H+].CCOC1=CC=C(C=C1)C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]
- InChIKey
- PCZHWPSNPWAQNF-LMOVPXPDSA-K
- Polar surface area
- 220 Ų
- H-bond donors
- 2
- H-bond acceptors
- 14
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 682.112138
Show 3 more facts
- chemical formula
- C₂₃H₃₀GdN₃O₁₁
- canonical SMILES
- [H+].[H+].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]
- isomeric SMILES
- [H+].[H+].CCOC1=CC=C(C=C1)C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]
Sources (3)
via Wikidata · CC0
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via Wikidata sitelinks · CC0