PROSULFALIN

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1GU35EEG6X

Structure

InChI Key LKVOXDJKFRBRQV-UHFFFAOYSA-N
Smiles CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)[S](=O)(=O)N=[S](C)C)[N+]([O-])=O
InChI
InChI=1S/C14H22N4O6S2/c1-5-7-16(8-6-2)14-12(17(19)20)9-11(10-13(14)18(21)22)26(23,24)15-25(3)4/h9-10H,5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N4O6S2
Molecular Weight 406.1
AlogP 2.88
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 9.0
Polar Surface Area 136.02
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 51528-03-1
NORMAN SUSDAT
FDA SRS 1GU35EEG6X
CONTENTS