MOLI000737
Molecular Formula:
C
23
H
25
N
5
O
6
Tc
-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