2-[[5-(2-nitroimidazol-1-yl)-2-[(2-oxidanidylphenyl)methylazanidylmethyl]-4-oxidanyl-pentyl]azanidylmethyl]phenolate; oxidanylidenetechnetium-99

Systemtic Name: 2-[[5-(2-nitroimidazol-1-yl)-2-[(2-oxidanidylphenyl)methylazanidylmethyl]-4-oxidanyl-pentyl]azanidylmethyl]phenolate; oxidanylidenetechnetium-99 Openeye Name: 2-[[4-hydroxy-5-(2-nitroimidazol-1-yl)-2-[(2-oxidophenyl)methylazanidylmethyl]pentyl]azanidylmethyl]phenolate; oxotechnetium-99 CAS Name: 2-[[4-hydroxy-5-(2-nitro-1-imidazolyl)-2-[(2-oxidophenyl)methylazanidylmethyl]pentyl]azanidylmethyl]phenolate; oxotechnetium-99 IUPAC Name: 2-[[4-hydroxy-5-(2-nitroimidazol-1-yl)-2-[(2-oxidophenyl)methylazanidylmethyl]pentyl]azanidylmethyl]phenolate; oxotechnetium-99 Traditional Name: 2-[[4-hydroxy-5-(2-nitroimidazol-1-yl)-2-[(2-oxidobenzyl)azanidylmethyl]pentyl]azanidylmethyl]phenolate; ketotechnetium-99 Formula: C23H25N5O6Tc-4 MolecularWeight: 566.380755

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Descriptors Computed from Structure

Canonical 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]

Isomeric 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=[99Tc]

InChI

InChI=1S/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