5,6-Dihydroxy-4-fluorotryptamine creatinine
[CAS# 127709-37-9]

Identification

• Name: 5,6-Dihydroxy-4-fluorotryptamine creatinine
• Synonyms: 4H-Imidazol-4-One, 2-Amino-1,5-Dihydro-1-Methyl-, Compd. With 3-(2-Aminoethyl)-4-Fluoro-1H-Indole-5,6-Diol Sulfate (Salt) (1:1:1); 5,6-Dhftc; 5,6-Dihydroxy-4-Fluorotryptamine Creatinine
• Molecular Formula: C₁₄H₂₀FN₅O₇S
• Molecular Weight: 421.40
• CAS Registry Number: 127709-37-9
• SMILES: O=[S](=O)(O)O.C1=C(O)C(=C(F)C2=C1[NH]C=C2CCN)O.CN3C(=NC(=O)C3)N
• InChI: 1S/C10H11FN2O2.C4H7N3O.H2O4S/c11-9-8-5(1-2-12)4-13-6(8)3-7(14)10(9)15;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3-4,13-15H,1-2,12H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
• InChIKey: MRDJRMIPHURQIJ-UHFFFAOYSA-N

Properties

• Boiling point: 459.1°C at 760 mmHg (Cal.)
• Flash point: 231.5°C (Cal.)