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Home > Product > Heterocyclic Organic Compounds > Gadobenic acid disodium salt

Gadobenic acid disodium salt | CAS Number: 113662-22-9

Catalog Number
ACM113662229
Product Name
Gadobenic acid disodium salt
Structure
CAS Number
113662-22-9
IUPAC Name
disodium;2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+)
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
Molecular Weight
711.68
Exact Mass
712.06000
Molecular Formula
C22H24GdN3Na2O11
Purity
96%
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]
InChIKey
WZTRMCSCVTYBQK-UHFFFAOYSA-I
H-Bond Donor
0
H-Bond Acceptor
14
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