4,7-Difluoro-5,6-dihydroxytryptamine creatinine
[CAS# 133983-26-3]

Identification

• Name: 4,7-Difluoro-5,6-dihydroxytryptamine creatinine
• Synonyms: 2-Amino-1,5-Dihydro-1-Methyl-4H-Imidazol-4-One Compd. With 3-(2-Aminoethyl)-4,7-Difluoro-1H-Indole-5,6-Diol Sulfate (1:1:1); 4,7-Dfdtc; 4,7-Difluoro-5,6-Dihydroxytryptamine Creatinine
• Molecular Formula: C₁₄H₁₉F₂N₅O₇S
• Molecular Weight: 439.39
• CAS Registry Number: 133983-26-3
• SMILES: O=[S](=O)(O)O.C1=C(C2=C([NH]1)C(=C(O)C(=C2F)O)F)CCN.CN3C(=NC(=O)C3)N
• InChI: 1S/C10H10F2N2O2.C4H7N3O.H2O4S/c11-6-5-4(1-2-13)3-14-8(5)7(12)10(16)9(6)15;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3,14-16H,1-2,13H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
• InChIKey: DPIHOKBTEPDNAI-UHFFFAOYSA-N

Properties

• Boiling point: 445.9°C at 760 mmHg (Cal.)
• Flash point: 223.5°C (Cal.)