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

Structure

InChI Key JSIHCKINONIDNP-BEQZQCNLSA-N
Smiles [I-].[I-].C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC[N+]4(C)C)[N+]5(C)CCCC5
InChI
InChI=1S/C26H46N2/c1-25-14-12-21(28(5)17-6-7-18-28)19-20(25)10-11-22-23(25)13-15-26(2)24(22)9-8-16-27(26,3)4/h10,21-24H,6-9,11-19H2,1-5H3/q+2/t21-,22+,23-,24-,25-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H46N2
Molecular Weight 386.37
AlogP 5.39
Number of Rotational Bond 1.0
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 54278-85-2
NORMAN SUSDAT