Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 75934UD4GJ
EPA CompTox DTXSID6023494

Structure

InChI Key PCYCMNAACHXSJR-PFABAOLTSA-N
Smiles CCC[N+]12C3CC45C(O)C3C(CC1C4N(C)c1ccccc51)C(CC)C2O
InChI
InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/t13-,14?,17-,18-,19?,20-,21+,22+,23?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H33N2O2

Cross References

Resources Reference
CAS NUMBER 35080-11-6
NORMAN SUSDAT
FDA SRS 75934UD4GJ
PubChem 5152290
ChemSpider 4325451.0