NUFENOXOLE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 39ER7N857V

Structure

InChI Key CVOCKGAVXLCEGM-UHFFFAOYSA-N
Smiles Cc1oc(nn1)C(CCN2CC3CCC2CC3)(c4ccccc4)c5ccccc5
InChI
InChI=1S/C25H29N3O/c1-19-26-27-24(29-19)25(21-8-4-2-5-9-21,22-10-6-3-7-11-22)16-17-28-18-20-12-14-23(28)15-13-20/h2-11,20,23H,12-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H29N3O1
Molecular Weight 387.23
AlogP 4.98
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 42.16
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 57726-65-5
NORMAN SUSDAT
FDA SRS 39ER7N857V
CONTENTS