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Gadoteric acid

CAS No.:
72573-82-1
Catalog Number:
AG00FC9S
Molecular Formula:
Molecular Weight:
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Purity
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Product Description
Catalog Number:
AG00FC9S
Chemical Name:
Gadoteric acid
CAS Number:
72573-82-1
MDL Number:
MFCD00867227
IUPAC Name:
2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
InChI:
InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
InChI Key:
GFSTXYOTEVLASN-UHFFFAOYSA-K
UNII:
QVF9Y6955W
Properties
Complexity:
510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
559.091g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
558.646g/mol
Monoisotopic Mass:
559.091g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Usefulness of contrast-enhanced ultrasonography in the diagnosis of renal pseudotumors. Abdominal imaging 20100401
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Properties