2-[2-[carboxylatomethyl-[2-(carboxylatomethyl-(carboxymethyl)amino)ethyl]amino]ethyl-(carboxymethyl)amino]acetate; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Molecular Formula:
C21H37GdN4O15
InChI: InChI=1/C14H23N3O10.C7H17NO5.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;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);4-13H,2-3H2,1H3;/q;;+3/p-3/t;4-,5+,6+,7+;/m.0./s1/fC14H20N3O10.C7H17NO5.Gd/h20,24H;;/q-3;;m
InChIKey: InChIKey=LZQIEMULHFPUQY-FAXPBLQEDX
SMILES: 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-[carboxylatomethyl-[2-(carboxylatomethyl-(carboxymethyl)amino)ethyl]amino]ethyl-(carboxymethyl)amino]acetate; gadolinium(+3) cation; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Registries:
PubChem CID 450511
PubChem ID 10300471
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