1-METHOXY-5-METHYLPHENAZINIUM METHYL SULPHATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40215474

Structure

InChI Key MASUWVVNWALEEM-UHFFFAOYSA-M
Smiles O=S(=O)([O-])OC.N=1C=2C=CC=CC2[N+](=C3C=CC=C(OC)C13)C
InChI
InChI=1/C14H13N2O.CH4O4S/c1-16-11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-2;1-5-6(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13N2O
Molecular Weight 336.08
AlogP 1.31
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 92.43
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 65162-13-2
NORMAN SUSDAT
PubChem 127832
CONTENTS