Chemical substance record

Gadoteric acid

72573-82-1C₁₆H₂₅GdN₄O₈558.646 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A gadolinium coordination entity consisting of DOTA in which the four amino groups are bound to a central gadolinium atom. It is used (as its meglumine salt) in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of patients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	72573-82-1	ChEBI ↗
Molecular formula	C₁₆H₂₅GdN₄O₈	ChEBI ↗
Molar mass	558.646 g/mol	ChEBI ↗
Monoisotopic mass	559.09134 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:73732	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	558.64 g/mol	PubChem ↗
Exact mass	559.09135 Da	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

gadoteric acid

IUPAC name

[2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-kappa(4)N(1),N(4),N(7),N(10))tetraacetato(3-)]gadolinium

InChIKey

GFSTXYOTEVLASN-UHFFFAOYSA-K

SMILES

O=C([O-])C[N+]12CC[N+]3(CC(=O)[O-])CC[N+]4(CC(=O)O)CC[N+](CC(=O)[O-])(CC1)[Gd-]234

InChI

InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3

Names & synonyms

[2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-kappa(4)N(1),N(4),N(7),N(10))tetraacetato(3-)]gadolinium

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

gadolinium coordination entityChEBI parent class · 35730 ↗

Roles recorded in ChEBI

MRI contrast agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00179004 mol

Uses 558.646 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 16 atoms

34.40%

Gd

Gadolinium · 1 atom

28.15%

O

Oxygen · 8 atoms

22.91%

N

Nitrogen · 4 atoms

10.03%

H

Hydrogen · 25 atoms

4.51%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Evaluation of the effects of noniodinized and iodinized ionic contrast media and gadoteric acid in acute necrotizing pancreatitis: experimental study in rabbits. ↗Pancreas · 2007 Nov · PMID 18090230

Tolerability and diagnostic value of gadoteric acid in the general population and in patients with risk factors: results in more than 84,000 patients. ↗European journal of radiology · 2012 May · PMID 21555197

WO2005070400 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:73732

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 158536 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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