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58-34-4 | thiazinamium metilsulfate
CAS No: 58-34-4 Catalog No: AG00EZHG MDL No:
Product Description
Catalog Number:
AG00EZHG
Chemical Name:
thiazinamium metilsulfate
CAS Number:
58-34-4
IUPAC Name:
methyl sulfate;trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium
InChI:
InChI=1S/C18H23N2S.CH4O4S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-5-6(2,3)4/h5-12,14H,13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
BVIDQAVCCRUFGU-UHFFFAOYSA-M
EC Number:
200-376-8
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.133g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.547g/mol
Monoisotopic Mass:
410.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A trypanocidal phenazine derived from beta-lapachone. | Journal of medicinal chemistry 20020509 |
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