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[1. A nonionic macrocyclic analogue of gadolinium DOTA; used as a paramagnetic contrast medium in magnetic resonance imaging.
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pre_formula( "InChI=1/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3/fC17H29N4O7.Gd/q-3;m", "jqp013/60714.html" ); ?>
Molecular Formula:
C17H29GdN4O7
InChI: InChI=1/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3/fC17H29N4O7.Gd/q-3;m
InChIKey: InChIKey=DPNNNPAKRZOSMO-IBOKPTKACE
SMILES: [Gd+3].CC(O)CN1CCN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC([O-])=O
CAS number 120066-54-8
Names:
gadolinium-HP-DO3A
GADOTERIDOL
Gadoteridol (JAN/USP)
gadoteridol
Gd(HP-DO3A)
Gd-HPDO3A
Gd-HP-DO3A
ProHance
ProHance (TN)
SQ-32692
2-[4,10-bis(carboxylatomethyl)-7-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(+3) cation
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Registries:
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PubChem CID 60714
CAS 120066-54-8 (from NIST)
ChEBI 31643
Gmelin 897397
Kegg D01137
PubChem ID 12014621
PubChem ID 7848200
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