SOTERENOL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9364W7589B

Structure

InChI Key HHRNQOGXBRYCHF-UHFFFAOYSA-N
Smiles [H+].[Cl-].CC(C)NCC(O)c1ccc(O)c(N[S](C)(=O)=O)c1
InChI
InChI=1S/C12H20N2O4S/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18/h4-6,8,12-16H,7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2O4S1
Molecular Weight 288.11
AlogP 0.8
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 98.66
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 13642-52-9
NORMAN SUSDAT
FDA SRS 9364W7589B
CONTENTS