Basic information
- CAS
142541-49-9- Standard SMILES
CC(C)([S-])C[N-]C(C)(C)CN(CCc1ccc(I)cc1)CC(C)(C)[S-].[O]=[99Tc+3]- InChIKey
HFQGEMMPEWLDCC-FCHARDOESA-L- Molecular formula
- C20H32IN2OS2Tc
- Average molar mass
- 606.4 g/mol
- Monoisotopic mass
- 606.00633
Overview
potential brain perfusion imaging agent for SPECT; structure given in first source
Names & identifiers
- Preferred name
- technetium Tc 99m 4-iodophenethyldiaminodithiol
- IUPAC
- 1-[1-[2-(4-iodophenyl)ethyl-(2-methyl-2-sulfidopropyl)amino]-2-methylpropan-2-yl]azanidyl-2-methylpropane-2-thiolate;oxo(99Tc)technetium-99(3+)
- English name
- technetium Tc 99m 4-iodophenethyldiaminodithiol
- Molecular formula
- C20H32IN2OS2Tc
- Molecular weight
- 606.42
Names & synonyms
99m-TC-Dadt-ipeTechnetium Tc 99m 4-iodophenethyldiaminodithiol142541-49-9DTXSID60162077RefChem:187667DTXCID5084568Technetium-99Tc, (1-((2-((2-(4-iodophenyl)ethyl)(2-mercapto-2-methylpropyl)amino)-1,1-dimethylethyl)amino)-2-methyl-2-propanethiolato(3-)-N,N',S,S')oxo-, (SP-5-35)-(Oxido)(~99~Tc)technetium(3+) 1-([2-(4-iodophenyl)ethyl]{2-methyl-2-[(2-methyl-2-sulfidopropyl)azanidyl]propyl}amino)-2-methylpropane-2-thiolate
Database identifiers
- CAS
142541-49-9- PubChem CID
- 3083358
- DTXSID
DTXSID60162077
Properties
Computed structural properties
- Topological polar surface area
- 23.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 393
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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