MOLI000093
Molecular Formula:
C38H51N2O3S2Tc+
InChI: InChI=1/C38H53N2O2S2.O.Tc/c1-7-17-38(42)18-16-33-31-14-12-28-21-29(41)13-15-30(28)34(31)32(22-37(33,38)6)27-10-8-26(9-11-27)23-40(25-36(4,5)44)20-19-39-24-35(2,3)43;;/h8-11,21,31-33,42-44H,12-16,18-20,22-25H2,1-6H3;;/q-1;;+4/p-2/t31-,32+,33-,37-,38-;;/m0../s1/i;;1+1/fC38H51N2O2S2.O.Tc/h43-44h;;/q-3;;m/rC38H53N2O2S2.OTc/c1-7-17-38(42)18-16-33-31-14-12-28-21-29(41)13-15-30(28)34(31)32(22-37(33,38)6)27-10-8-26(9-11-27)23-40(25-36(4,5)44)20-19-39-24-35(2,3)43;1-2/h8-11,21,31-33,42-44H,12-16,18-20,22-25H2,1-6H3;/q-1;+4/p-2/t31-,32+,33-,37-,38-;/m0./s1/i;2+1/fC38H51N2O2S2.OTc/h43-44h;/q-3;m
InChIKey: InChIKey=CAIGBJUFRXHGNR-KHPSMZAFHG
SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)CN(CC[N-]CC(C)(C)[S-])CC(C)(C)[S-])C)O.O=[Tc+4]
Names:
MOLI000093
1-[[4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methyl-[2-(2-methyl-2-sulfido-propyl)azanidylethyl]amino]-2-methyl-propane-2-thiolate; oxotechnetium
Registries:
PubChem CID 6326807
PubChem ID 88
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