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Technical details about Quinapyramine Sulphate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 4-amino-6-((2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino)-1,2-dimethylquinolin-1-iumhydrogensulfate
Molecular Formula
C17H24N6O8S2
Molecular Weight
504.5  g/mol
InChI Key
GHBZCGPOPVCUHF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-N-(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)-1,2-dimethylquinolin-1-ium-4,6-diamine;hydrogen sulfate
2.1.2 InChI
InChI=1S/C17H20N6.2H2O4S/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16;2*1-5(2,3)4/h5-9,18H,1-4H3,(H2,19,20,21);2*(H2,1,2,3,4)
2.1.3 InChI Key
GHBZCGPOPVCUHF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C2C=C(C=CC2=[N+]1C)NC3=NC(=[N+](C(=C3)C)C)N)N.OS(=O)(=O)[O-].OS(=O)(=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4-amino-6-((2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino)-1,2-dimethylquinolin-1-iumhydrogensulfate

2.3 Create Date
2013-05-09
3 Chemical and Physical Properties
Molecular Weight 504.5 g/mol
Molecular Formula C17H24N6O8S2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Exact Mass504.10970409 g/mol
Monoisotopic Mass504.10970409 g/mol
Topological Polar Surface Area256 Ų
Heavy Atom Count33
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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