Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ECA0E1PO91

Structure

InChI Key SKDZEFVVFACNLS-DEOSSOPVSA-N
Smiles CCCCCCN(C)CCC[C@](C#N)(C(C)C)c1cc(OC)c(OC)c(OC)c1
InChI
InChI=1S/C24H40N2O3/c1-8-9-10-11-14-26(4)15-12-13-24(18-25,19(2)3)20-16-21(27-5)23(29-7)22(17-20)28-6/h16-17,19H,8-15H2,1-7H3/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H40N2O3
Molecular Weight 404.3
AlogP 5.42
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 14.0
Polar Surface Area 54.72
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 136033-49-3
NORMAN SUSDAT
FDA SRS ECA0E1PO91