Gadobenic acid disodium salt

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Catalog Number

ACM113662229

Product Name

Structure

CAS

113662-22-9

Category

Heterocyclic Organic Compound

Synonyms

[4-(Carboxy-κO)-5,8,11-tris[(carboxy-κO)methyl]-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oato(5-)-κN5,κN8,κN11,κO13]gadolinate(2-) Disodium; Gd-BOPTA

IUPAC Name

disodium;2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+)

Molecular Weight

711.68

Molecular Formula

C₂₂H₂₄GdN₃Na₂O₁₁

Canonical SMILES

C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Gd+3]

InChI Key

WZTRMCSCVTYBQK-UHFFFAOYSA-I

Exact Mass

712.06000

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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