U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 3Cl.Gd.6H2O
Molecular Weight 371.7
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GADOLINIUM CHLORIDE HEXAHYDRATE

SMILES

O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Gd+3]

InChI

InChIKey=PNYPSKHTTCTAMD-UHFFFAOYSA-K
InChI=1S/3ClH.Gd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3

HIDE SMILES / InChI
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Gd
Molecular Weight 157.25
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/7960618; https://www.ncbi.nlm.nih.gov/pubmed/?term=23435930; http://mnoncology.com/disease-drug-info/drug-dictionary/G/

DOTAREM (Gadoterate Meglumine ) is a gadolinium-based contrast agent indicated for intravenous use with magnetic resonance imaging (MRI) in brain (intracranial), spine and associatedtissues in adult and pediatric patients (2 years of age and older) to detect and visualize areas with disruption of the blood brain barrier (BBB) and/or abnormal vascularity. Gadoterate Meglumine is a gadolinium chelate paramagnetic contrast agent. When placed in a magnetic field, gadoterate meglumine produces a large magnetic moment and so a large local magnetic field, which can enhance the relaxation rate of nearby protons; as a result, the signal intensity of tissue images observed with magnetic resonance imaging (MRI) may be enhanced. Because this agent is preferentially taken up by normal functioning hepatocytes, normal hepatic tissue is enhanced with MRI while tumor tissue is unenhanced. In addition, because gadobenate dimeglumine is excreted in the bile, it may be used to visualize the biliary system using MRI.

CNS Activity

CNS Non-penetrant
1014
Curator's Comment: Gadoterate does not cross the intact blood-brain barrier and, therefore, does not enhance normal brain or lesions that have a normal blood-brain barrier, e.g. cysts, mature post-operative scars. However, disruption of the bloodbrain barrier or abnormal vascularity allows distribution of gadoterate in lesions such as neoplasms, abscesses, and infarcts.

Originator

Approval Year

1988
111
Targets

Targets

Primary TargetPharmacologyConditionPotency
Serum paraoxonase/arylesterase 1
31
Target ID: P27169
Gene ID: 5444.0
Gene Symbol: PON1
Target Organism: Homo sapiens (Human)
Inhibitor
8297
 105.0 mM [Ki]
6-phosphogluconate dehydrogenase, decarboxylating
29
Target ID: P52209
Gene ID: 5226.0
Gene Symbol: PGD
Target Organism: Homo sapiens (Human)
Inhibitor
8297
 73.0 mM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
Approved
8429
DOTAREM

Approved Use

Indicated for intravenous use with magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues in adult and pediatric patients (2 years of age and older) to detect and visualize areas with disruption of the blood brain barrier (BBB) and/or abnormal vascularity.

Launch Date

2013
Diagnostic
Approved
8429
GADAVIST

Approved Use

Gadavist is a gadolinium-based contrast agent indicated for use with magnetic resonance imaging to detect and visualize areas with disrupted blood brain barrier and/or abnormal vascularity of the central nervous system in adult and pediatric patients (including term neonates); to assess the presence and extent of malignant breast disease; to evaluate known or suspected supra-aortic or renal artery disease in adult and pediatric patients (including term neonates) disease.

Launch Date

2011
Diagnostic
Approved
8429
GADAVIST

Approved Use

Gadavist is a gadolinium-based contrast agent indicated for use with magnetic resonance imaging to detect and visualize areas with disrupted blood brain barrier and/or abnormal vascularity of the central nervous system in adult and pediatric patients (including term neonates); to assess the presence and extent of malignant breast disease; to evaluate known or suspected supra-aortic or renal artery disease in adult and pediatric patients (including term neonates) disease.

Launch Date

2011
Diagnostic
Approved
8429
GADAVIST

Approved Use

Gadavist is a gadolinium-based contrast agent indicated for use with magnetic resonance imaging to detect and visualize areas with disrupted blood brain barrier and/or abnormal vascularity of the central nervous system in adult and pediatric patients (including term neonates); to assess the presence and extent of malignant breast disease; to evaluate known or suspected supra-aortic or renal artery disease in adult and pediatric patients (including term neonates) disease.

Launch Date

2011
PubMed

PubMed

TitleDatePubMed
Aluminum-induced DNA synthesis in osteoblasts: mediation by a G-protein coupled cation sensing mechanism.
1994 Sep
Zinc allosterically modulates antagonist binding to cloned D1 and D2 dopamine receptors.
1997 May
The transient receptor potential protein homologue TRP6 is the essential component of vascular alpha(1)-adrenoceptor-activated Ca(2+)-permeable cation channel.
2001 Feb 16
Gadolinium-containing contrast media for radiographic examinations: a position paper.
2002 Oct
Nociceptor and hair cell transducer properties of TRPA1, a channel for pain and hearing.
2005 Apr 20
Dissociation of regulated trafficking of TRPC3 channels to the plasma membrane from their activation by phospholipase C.
2006 Apr 28
Renal safety of gadolinium-based contrast agent for ionizing radiation imaging.
2006 Jul
Gadolinium-based contrast media for multi-detector row spiral CT pulmonary angiography in patients with renal insufficiency.
2006 Mar
Gadolinium contrast may be risky in kidney disease.
2007 Jun 30
Gadolinium-based contrast exposure, nephrogenic systemic fibrosis, and gadolinium detection in tissue.
2008 Apr
Quantification of gadolinium in nephrogenic systemic fibrosis: re-examination of a reported cohort with analysis of clinical factors.
2008 Aug
Metabotropic receptor-activated calcium increases and store-operated calcium influx in mouse Müller cells.
2008 Jul
Gadolinium and kidney disease: are your patients at risk?
2008 Mar-Apr
Speciation analysis of gadolinium-based MRI contrast agents in blood plasma by hydrophilic interaction chromatography/electrospray mass spectrometry.
2008 Nov 1
Use of gadolinium for carotid artery angiography and stenting in patients with renal insufficiency.
2009 Dec
TRPC5 channel sensitivities to antioxidants and hydroxylated stilbenes.
2011 Feb 18
Heavy metal cations permeate the TRPV6 epithelial cation channel.
2011 Jan
Toxicological safety evaluation of gadobutrol.
2012 Nov
Tumor Detection at 3 Tesla with an Activatable Cell Penetrating Peptide Dendrimer (ACPPD-Gd), a T1 Magnetic Resonance (MR) Molecular Imaging Agent.
2015
MR Angiography at 3 T of Peripheral Arterial Disease: A Randomized Prospective Comparison of Gadoterate Meglumine and Gadobutrol.
2015 Jun
MRI in multiple sclerosis: an intra-individual, randomized and multicentric comparison of gadobutrol with gadoterate meglumine at 3 T.
2016 Mar
Patents

Patents

08147802
22
EP0454078A2
22
EP0835140B1
22
EP2698169A1
22
US20130052141
22
US5886158
22
US5980864
22
US8192721
22
US8901294
22
WO2014114664A1
22

Sample Use Guides

In Vivo Use Guide
Recommended dose for adults and pediatric patients (including term neonates) is 0.1 mL/kg body weight. Administer as an intravenous bolus injection. Follow injection with a normal saline flush.
Route of Administration: Intravenous
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 21:31:21 GMT 2023
Edited
by admin
on Fri Dec 15 21:31:21 GMT 2023
Record UNII
261EX557HI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GADOLINIUM CHLORIDE HEXAHYDRATE
Systematic Name English
GADOLINIUM(III) CHLORIDE HEXAHYDRATE
Systematic Name English
GADOLINIUM TRICHLORIDE HEXAHYDRATE
Systematic Name English
GADOLINIUM CHLORIDE (GDCL3), HEXAHYDRATE
Common Name English
Code System Code Type Description
CAS
13450-84-5
Created by admin on Fri Dec 15 21:31:21 GMT 2023 , Edited by admin on Fri Dec 15 21:31:21 GMT 2023
PRIMARY
FDA UNII
261EX557HI
Created by admin on Fri Dec 15 21:31:21 GMT 2023 , Edited by admin on Fri Dec 15 21:31:21 GMT 2023
PRIMARY
PUBCHEM
197915
Created by admin on Fri Dec 15 21:31:21 GMT 2023 , Edited by admin on Fri Dec 15 21:31:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID80928637
Created by admin on Fri Dec 15 21:31:21 GMT 2023 , Edited by admin on Fri Dec 15 21:31:21 GMT 2023
PRIMARY
Related Record Type Details
Structure of GADOLINIUM CATION (3+)
PARENT -> SALT/SOLVATE
Structure of GADOLINIUM CHLORIDE
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of GADOLINIUM CATION (3+)
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966