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158792-20-2 | Hydrazinecarboximidamide, N-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylene]-, 4-methylbenzenesulfonate (1:1)
CAS No: 158792-20-2 Catalog No: AG001QVI MDL No:
Product Description
Catalog Number:
AG001QVI
Chemical Name:
Hydrazinecarboximidamide, N-hydroxy-2-[(2-hydroxy-5-methoxyphenyl)methylene]-, 4-methylbenzenesulfonate (1:1)
CAS Number:
158792-20-2
Molecular Formula:
C16H20N4O6S
Molecular Weight:
396.4182
IUPAC Name:
1-hydroxy-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C9H12N4O3.C7H8O3S/c1-16-7-2-3-8(14)6(4-7)5-11-12-9(10)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,14-15H,1H3,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b11-5+;
InChI Key:
MLOLGZQVRYQQKK-HMXKFKBXSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.ONC(=N)NN=Cc1cc(OC)ccc1O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
396.11g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
396.418g/mol
Monoisotopic Mass:
396.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Inhibition of human adenoviruses by 1-(2'-hydroxy-5'-methoxybenzylidene)amino-3-hydroxyguanidine tosylate. | Antiviral research 19940801 |
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