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Impurities and reference standards

Gadoversetamide

Also known as Optimark, Optimark In Plastic Container, (8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)), gadolinium

CAS 131069-91-5Formula C20H34GdN5O10Molar mass 661.77 g/mol
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Gadoversetamide chemical structure, C20H34GdN5O10, CAS 131069-91-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
131069-91-5
Formula
C20H34GdN5O10
Density
1.160 at 25 °C
Solubility
Freely soluble in water
HS code
284690
Category
Impurities and reference standards

What is Gadoversetamide?

Plain description, key identifiers and synonyms

Gadoversetamide is a gadolinium coordination entity that consists of Gd3+ coordinated to 3,6,9-triazaundecadiamide in which each of the amide nitrogens is substituted by a 2-methoxyethyl group and in which the nitrogens at positions 3, 6, and 9 are each substituted by carboxylatomethyl group. The gadolinium is coordinated to the three tertiary amino groups as well as to the carboxylate groups. A white odourless powder that is freely soluble in water, gadoversetamide has paramagnetic properties and is used as a contrast agent in magnetic resonance imaging. It distributes mainly in extracellular fluid, but does not cross the blood-brain barrier. It is used particularly in imaging the brain, spine and liver. It has a role as a MRI contrast agent.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate, gadolinium(3+)
CAS number
131069-91-5 CAS number cross-checked
Molecular formula
C20H34GdN5O10
UNII
RLM74T3Z9D
InChIKey
HBEAOBRDTOXWRZ-UHFFFAOYSA-K
InChI
InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3
SMILES (canonical and isomeric)
COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Synonyms

  • Optimark
  • Optimark In Plastic Container
  • (8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)), gadolinium
  • Gadoversetamida
  • Gadoversetamidum
  • (N,N-Bis(2-((carboxymethyl)(((2-methoxyethyl)carbamoyl)methyl)amino)ethyl)glycinato(3-))gadolinium
  • [N,N-Bis[2-[(carboxymethyl)[[(2-methoxyethyl)carbamoyl]methyl]amino]ethyl]glycinato(3-)]gadolinium
  • gadolinium(3+) ion 2-(bis((2-((carboxylatomethyl)((((2-methoxyethyl)carbamoyl)methyl))amino)ethyl))amino)acetate
  • 2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate, gadolinium(3+)
  • Optimark (TN)
  • Gadoversetamide (JAN/USP/INN)
  • Gadoversetamide (200 mg) (DISCONTINUED)
  • gadolinium 8,11-bis(carboxylatomethyl)-14-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Density
1.160 at 25 °Cexp.
Solubility
Freely soluble in waterexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
661.77 g/molcalc.
Exact mass
662.1547 Dacalc.
LogP (octanol/water)
-7.33calc.
Topological polar surface area
206.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
22calc.
Heavy atoms
36calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

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Gadoversetamide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Contrast Media.

For MRI diagnostic procedures to provide increased enhancement and visualization of lesions of the brain, spine and liver, including tumors.

Therapeutic category: Diagnostic aid (MRI contrast agent).

Typical contrast agents are gadolinium-based compounds that possess a higher linear attenuation coefficient than soft tissues. (Contrast agents).

Pharmacological actions

  • Contrast Media

Roles

  • MRI contrast agent
  • diagnostic agent
  • diagnostic imaging agent
  • pharmaceutical

Pharmacology

Gadoversetamide is a Paramagnetic Contrast Agent. The mechanism of action of gadoversetamide is as a Magnetic Resonance Contrast Activity.

How it is made

Preparation: R. W. Weber, M. P. Periasamy, World Intellectual Property Organization (WIPO) patent 9001024, R. W. Weber, United States of America patent 5130120 (1990, 1992 both to Mallinckrodt).

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Gadoversetamide is traded under.

HS 2846.90Indicative HS code

Compounds, inorganic or organic (excluding cerium), of rare-earth metals, of yttrium, scandium or of mixtures…

World exports in 2024
$2.49B
−24.4% vs 2023, imports $2.28B
2019 to 2024
Top exporters
  1. Myanmar * partner reported32.8%
  2. China15.1%
  3. Malaysia14.7%
Top importers
  1. China60.3%
  2. Vietnam * partner reported7.7%
  3. United States6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Gadoversetamide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Gadoversetamide, based on the data on this page

What is Gadoversetamide?

Gadoversetamide is a gadolinium coordination entity that consists of Gd3+ coordinated to 3,6,9-triazaundecadiamide in which each of the amide nitrogens is substituted by a 2-methoxyethyl group and in which the nitrogens at positions 3, 6, and 9 are each substituted by carboxylatomethyl group.

What is the CAS number of Gadoversetamide?

The CAS registry number of Gadoversetamide is 131069-91-5.

What is the molecular formula and weight of Gadoversetamide?

The molecular formula of Gadoversetamide is C20H34GdN5O10 and its molar mass is 661.77 g/mol.

What is Gadoversetamide used for?

Contrast Media. For MRI diagnostic procedures to provide increased enhancement and visualization of lesions of the brain, spine and liver, including tumors. Therapeutic category: Diagnostic aid (MRI contrast agent).

Is Gadoversetamide hazardous?

No GHS hazard classification for Gadoversetamide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Gadoversetamide?

Gadoversetamide is usually classified under HS code 284690 (Compounds, inorganic or organic, of rare-earth metals, of yttrium or of scandium or of…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Gadoversetamide?

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What is the price of Gadoversetamide?

Suppliers quote Gadoversetamide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Gadoversetamide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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