MOLI000062

Molecular Formula: C26H39N4O5S2Tc+2


InChI: InChI=1/C26H42N4O4S2.O.Tc/c1-19-7-8-24(33-2)23(15-19)28-26(32)34-22-16-20-5-3-6-21(17-22)30(20)11-4-10-29(12-14-36)18-25(31)27-9-13-35;;/h7-8,15,20-22H,3-6,9-14,16-18H2,1-2H3,(H4,27,28,31,32,35,36);;/q;;+5/p-3/i;;1+1/fC26H39N4O4S2.O.Tc/h28H;;/q-3;;m/rC26H42N4O4S2.OTc/c1-19-7-8-24(33-2)23(15-19)28-26(32)34-22-16-20-5-3-6-21(17-22)30(20)11-4-10-29(12-14-36)18-25(31)27-9-13-35;1-2/h7-8,15,20-22H,3-6,9-14,16-18H2,1-2H3,(H4,27,28,31,32,35,36);/q;+5/p-3/i;2+1/fC26H39N4O4S2.OTc/h28H;/q-3;m

InChIKey: InChIKey=PVTNDMPKWKMSJK-QRWVTHLFGQ
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)OC2CC3CCCC(C2)N3CCCN(CC[S-])CC(=O)[N-]CC[S-].O=[Tc+5]

Names:
    MOLI000062
    2-[3-[7-[(2-methoxy-5-methyl-phenyl)carbamoyloxy]-9-azabicyclo[3.3.1]non-9-yl]propyl-(2-sulfidoethylazanidylcarbonylmethyl)amino]ethanethiolate; oxotechnetium

Registries:
    PubChem CID 6326806
    PubChem ID 58