Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII UOP17166KC

Structure

InChI Key KQPIFPBKXYBDGV-UHFFFAOYSA-M
Smiles [Br-].CC[Sn+](CC)CC
InChI
InChI=1/3C2H5.BrH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1/rC6H15Sn.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15BrSn
Molecular Weight 285.94
AlogP -0.46
Number of Rotational Bond 3.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2767-54-6
NORMAN SUSDAT
FDA SRS UOP17166KC