Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P3JW662TWA
EPA CompTox DTXSID2046127

Structure

InChI Key MEUQWHZOUDZXHH-UHFFFAOYSA-N
Smiles COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
InChI
InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26N2O3
Molecular Weight 378.19
AlogP 3.52
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 43.7
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 92623-83-1
NORMAN SUSDAT
FDA SRS P3JW662TWA
PubChem 56463
ChemSpider 50942.0