(3Z)-6-Oxo-3-{[4-(2-Pyridinylsulfamoyl)Phenyl]Hydrazono}-1,4-Cyclohexadiene-1-Carboxylic Acid - 2-Deoxy-2-(Methylamino)-D-Glucose (1:1)
[CAS# 31363-03-8]

Identification

• Name: (3Z)-6-Oxo-3-{[4-(2-Pyridinylsulfamoyl)Phenyl]Hydrazono}-1,4-Cyclohexadiene-1-Carboxylic Acid - 2-Deoxy-2-(Methylamino)-D-Glucose (1:1)
• Synonyms: D-Glucose, 2-deoxy-2-(methylamino)-, 2-hydroxy-5-((4-((2-pyridinylamino)sulfonyl)phenyl)azo)benzoate (salt); Salazopyrine
• Molecular Formula: C₂₅H₂₉N₅O₁₀S
• Molecular Weight: 591.59
• CAS Registry Number: 31363-03-8
• SMILES: O=S(=O)(Nc1ncccc1)c3ccc(N/N=C2/C=C\C(=O)C(\C(=O)O)=C2)cc3.O=C[C@H](NC)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: 1S/C18H14N4O5S.C7H15NO5/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17;1-8-4(2-9)6(12)7(13)5(11)3-10/h1-11,20H,(H,19,22)(H,24,25);2,4-8,10-13H,3H2,1H3/b21-13-;/t;4-,5+,6+,7+/m.0/s1
• InChIKey: UVFJGRXAESHAQR-OCLLTRGLSA-N

Properties

• Boiling point: 630.9°C at 760 mmHg (Cal.)
• Flash point: 335.4°C (Cal.)