CAS
1136-52-3 Purity
96%
1136-52-3 Purity
96%
![2-[2-[2-[Bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+); hydron](https://resource.alfa-chemistry.com/structure/113662-23-0.gif)
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Gadobenic acid disodium salt
CAS
113662-22-9
Catalog Number
ACM113662229
Category
Other Products
Molecular Weight
711.68
Molecular Formula
C22H24GdN3Na2O11
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Specification
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+)
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
14
H-Bond Donor
0
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