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

Structure

InChI Key ZBZIRIODYXOQSJ-UHFFFAOYSA-N
Smiles [Cl-].CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C49H102N/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50(4,48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h5-49H2,1-4H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C49H102N1
Molecular Weight 704.8
AlogP 17.88
Number of Rotational Bond 45.0
Heavy Atoms 50.0

Cross References

Resources Reference
CAS NUMBER 52467-63-7
NORMAN SUSDAT