Gadobenic acid

Gadobenic acid
Clinical data
ATC code	V08CA08 (WHO) ;
Identifiers
	IUPAC name 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) cation;
CAS Number	113662-23-0;
PubChem CID	105124;
ChemSpider	94843;
UNII	15G12L5X8K;
CompTox Dashboard (EPA)	DTXSID00921145 ;
Chemical and physical data
Formula	C22H28GdN3O11
Molar mass	667.72 g/mol g·mol−1
3D model (JSmol)	Interactive image;
	SMILES [H+].[H+].[Gd+3].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)C(C([O-])=O)COCc1ccccc1;
	InChI InChI=1S/C22H31N3O11.Gd/c26-18(27)10-23(6-7-24(11-19(28)29)12-20(30)31)8-9-25(13-21(32)33)17(22(34)35)15-36-14-16-4-2-1-3-5-16;/h1-5,17H,6-15H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);/q;+3/p-3; Key:MXZROTBGJUUXID-UHFFFAOYSA-K;
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Gadobenic acid is a molecule used as a contrast medium.

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