5,7-Dihydroxytryptamine Creatinine Sulfate
[CAS# 39929-27-6]

Identification

• Name: 5,7-Dihydroxytryptamine Creatinine Sulfate
• Synonyms: 3-(2-Aminoethyl)-1H-Indole-5,7-Diol; Hydrogen Sulfate; (1-Methyl-4-Oxo-5H-Imidazol-2-Yl)Ammonium; 3-(2-Aminoethyl)-1H-Indole-5,7-Diol; (4-Keto-1-Methyl-5H-Imidazol-2-Yl)Ammonium; Bisulfate
• Molecular Formula: C₁₄H₂₁N₅O₇S
• Molecular Weight: 403.41
• CAS Registry Number: 39929-27-6
• SMILES: O=[S]([O-])(=O)O.C1=C(O)C=C(O)C2=C1C(=C[NH]2)CCN.CN3C(=NC(=O)C3)[NH3+]
• InChI: 1S/C10H12N2O2.C4H7N3O.H2O4S/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14;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: BXYXUOWJXUUTQZ-UHFFFAOYSA-N

Properties

• Boiling point: 479.6°C at 760 mmHg (Cal.)
• Flash point: 243.9°C (Cal.)