Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UZ8WTY8051

Structure

InChI Key XVGLWUPIJXJSOB-UHFFFAOYSA-N
Smiles CCCCCCN(C)Cc1ccc(OCCOc2ccc(CN(C)CCCCCC)cc2)cc1
InChI
InChI=1S/C30H48N2O2/c1-5-7-9-11-21-31(3)25-27-13-17-29(18-14-27)33-23-24-34-30-19-15-28(16-20-30)26-32(4)22-12-10-8-6-2/h13-20H,5-12,21-26H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H48N2O2
Molecular Weight 468.37
AlogP 7.17
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 19.0
Polar Surface Area 24.94
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 15599-45-8
NORMAN SUSDAT
FDA SRS UZ8WTY8051