5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-p-nitro-alpha-oxo)phenethylamino)-, trihydrate
Basic information
- CAS
63680-64-8- Standard SMILES
O.O.O.O=C(Nc1cc(S(=O)(=O)O)c2cccnc2c1O)C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
YMOHQCIVLNQJJA-UHFFFAOYSA-N- Molecular formula
- C17H19N3O11S
- Average molar mass
- 473.4 g/mol
- Monoisotopic mass
- 473.0740296
Names & identifiers
- Preferred name
- 5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-p-nitro-alpha-oxo)phenethylamino)-, trihydrate
- IUPAC
- 8-hydroxy-7-[[2-hydroxy-2-(4-nitrophenyl)acetyl]amino]quinoline-5-sulfonic acid;trihydrate
Names & synonyms
63680-64-85-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-p-nitro-alpha-oxo)phenethylamino)-, trihydrateRefChem:1073282DTXSID70979951Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)(4-nitrophenyl)ethanimidic acid--water (1/3)2-Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)-2-(4-nitrophenyl)ethanimidic acid--water (1/3)
Database identifiers
- CAS
63680-64-8- PubChem CID
- 113706
- DTXSID
DTXSID70979951
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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