MOLI000737

Molecular Formula: C₂₃H₂₅N₅O₆Tc^-4

InChI: InChI=1/C23H27N5O5.O.Tc/c29-20(16-27-10-9-26-23(27)28(32)33)11-17(12-24-14-18-5-1-3-7-21(18)30)13-25-15-19-6-2-4-8-22(19)31;;/h1-10,17,20,29-31H,11-16H2;;/q-2;;/p-2/i;;1+1/fC23H25N5O5.O.Tc/h30-31h;;/q-4;;/rC23H27N5O5.OTc/c29-20(16-27-10-9-26-23(27)28(32)33)11-17(12-24-14-18-5-1-3-7-21(18)30)13-25-15-19-6-2-4-8-22(19)31;1-2/h1-10,17,20,29-31H,11-16H2;/q-2;/p-2/i;2+1/fC23H25N5O5.OTc/h30-31h;/q-4;

InChIKey: InChIKey=CGEJTJHGBNLJAU-KQNOIDDPGP
SMILES: C1=CC=C(C(=C1)C[N-]CC(CC(CN2C=CN=C2[N+](=O)[O-])O)C[N-]CC3=CC=CC=C3[O-])[O-].O=[Tc]

Names:
    MOLI000737
    2-[[4-hydroxy-5-(2-nitroimidazol-1-yl)-2-[(2-oxidophenyl)methylazanidylmethyl]pentyl]azanidylmethyl]phenolate; oxotechnetium

Registries:
    PubChem CID 450327
    PubChem ID 722