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[1. A nonionic structural analog of gadolinium DPTA; used as a paramagnetic contrast medium in magnetic resonance imaging.
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pre_formula( "InChI=1/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3/fC16H26N5O8.Gd/h17-18H;/q-3;m", "jqp023/153921.html" ); ?>
Molecular Formula:
C16H26GdN5O8
InChI: InChI=1/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3/fC16H26N5O8.Gd/h17-18H;/q-3;m
InChIKey: InChIKey=HZHFFEYYPYZMNU-CJACVBLVCI
SMILES: [Gd+3].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O
Names:
gadodiamide
2-[bis[2-(carboxylatomethyl-(methylcarbamoylmethyl)amino)ethyl]amino]acetate; gadolinium(+3) cation
name_it( "InChI=1/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3/fC16H26N5O8.Gd/h17-18H;/q-3;m", "jqp023/153921.html" ); ?>
Registries:
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PubChem CID 153921
ChEBI 37333
PubChem ID 10251896
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pre_related( "InChI=1/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3/fC16H26N5O8.Gd/h17-18H;/q-3;m", "jqp023/153921.html" ); ?>