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Sigma-Aldrich

Diethylenetriaminepentaacetic acid gadolinium(III) dihydrogen salt hydrate

97%

Synonym(s):

Gadopentetic acid

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About This Item

Empirical Formula (Hill Notation):
C14H20GdN3O10 · xH2O
Molecular Weight:
547.57 (anhydrous basis)
MDL number:
MFCD02092653
UNSPSC Code:
12161600
PubChem Substance ID:
24863829
NACRES:
NA.22

Quality Level

100

Assay

97%

reaction suitability

core: gadolinium
reagent type: catalyst

mp

129 °C (dec.) (lit.)

SMILES string

[Gd+3].[H]O[H].OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O

InChI

1S/C14H23N3O10.Gd.H2O/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;1H2/q;+3;/p-3

InChI key

JBUMALASVLVYKI-UHFFFAOYSA-K

Related Categories

Application

Widely used metal ion complex for MRI used in the diagnosis of cerebral tumors, CNS diseases, hepatic tumors, pituitary adenomas, multiple sclerosis, and blood-brain barrier impairment.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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