2-[2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Molecular Formula:
C28H57GdN5O20+3
InChI: InChI=1/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/t;2*4-,5+,6+,7+;/m.00./s1/f/h18,20,22,24,26H;;;
InChIKey: InChIKey=LGMLJQFQKXPRGA-FKIDTDEUDF
SMILES: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]
Names:
2-[2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Registries:
PubChem CID 9854461
PubChem ID 14816506
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