5,6-Dihydroxytryptamine Creatinine Sulfate
[CAS# 36928-25-3]

Identification

• Name: 5,6-Dihydroxytryptamine Creatinine Sulfate
• Synonyms: 2-(5,6-Dihydroxy-1H-Indol-3-Yl)Ethylammonium; (1-Methyl-4-Oxo-5H-Imidazol-2-Yl)Ammonium; Sulfate; 2-(5,6-Dihydroxy-1H-Indol-3-Yl)Ethylammonium; (4-Keto-1-Methyl-5H-Imidazol-2-Yl)Ammonium; Sulfate
• Molecular Formula: C₁₄H₂₁N₅O₇S
• Molecular Weight: 403.41
• CAS Registry Number: 36928-25-3
• SMILES: O=[S]([O-])([O-])=O.C1=C(O)C(=CC2=C1C(=C[NH]2)CC[NH3+])O.CN3C(=NC(=O)C3)[NH3+]
• InChI: 1S/C10H12N2O2.C4H7N3O.H2O4S/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3-5,12-14H,1-2,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
• InChIKey: UGTUOBCWMROLQG-UHFFFAOYSA-N

Properties

• Boiling point: 471.9°C at 760 mmHg (Cal.)
• Flash point: 239.2°C (Cal.)