6-Benzothiazolol,5,7-dimethyl-2-(methylamino)-4-(3-pyridinylmethyl)-,hydrogensulfate(ester)(9CI)

5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate is an aryl sulfate obtained by sulfation of the phenolic hydroxy group of the anti-inflammatory drug, E3040. It is one of the major metabolites of E3040. It has a role as a xenobiotic metabolite. It is a member of benzothiazoles, a member of pyridines, an aryl sulfate and a secondary amino compound. It derives from an E3040. It is a conjugate acid of a 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl sulfate(1-).

Molecular Weight:379.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:379.06604838
Monoisotopic Mass:379.06604838
Topological Polar Surface Area:138
Heavy Atom Count:25
Complexity:556
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes