2-Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)-2-phenylethanimidic acid--water (1/2)
Basic information
- CAS
63680-65-9- Standard SMILES
O.O.O=C(Nc1cc(S(=O)(=O)O)c2cccnc2c1O)C(O)c1ccccc1- InChIKey
GTCIBWZCBUZKJP-UHFFFAOYSA-N- Molecular formula
- C17H18N2O8S
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.07838671
Names & identifiers
- Preferred name
- 2-Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)-2-phenylethanimidic acid--water (1/2)
- IUPAC
- 8-hydroxy-7-[(2-hydroxy-2-phenylacetyl)amino]quinoline-5-sulfonic acid;dihydrate
Names & synonyms
DTXSID3097995263680-65-92-Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)-2-phenylethanimidic acid--water (1/2)RefChem:1063409DTXCID9014072328-Hydroxy-7-((beta-hydroxy-alpha-oxo)phenethylamino)-5-quinolinesulfonic acid dihydrate5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-alpha-oxo)phenethylamino)-, dihydrateHydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)(phenyl)ethanimidic acid--water (1/2)
Database identifiers
- CAS
63680-65-9- PubChem CID
- 113708
- DTXSID
DTXSID30979952
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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