SECOVERINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 512WJG3I0O

Structure

InChI Key WAVYHSURRZBQKO-UHFFFAOYSA-N
Smiles [Cl-].CC[NH+](CCCC(=O)C1CCCCC1)C(C)Cc2ccc(OC)cc2
InChI
InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H35N1O2
Molecular Weight 345.27
AlogP 4.88
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 29.54
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 57558-44-8
NORMAN SUSDAT
FDA SRS 512WJG3I0O
CONTENTS