3-Demethylthiocolchicine
[CAS# 87424-25-7]

Identification

• Name: 3-Demethylthiocolchicine
• Synonyms: N-[(7S)-3-Hydroxy-1,2-Dimethoxy-10-(Methylthio)-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; N-[(7S)-3-Hydroxy-9-Keto-1,2-Dimethoxy-10-(Methylthio)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Acetamide; N-[(7S)-3-Hydroxy-1,2-Dimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Ethanamide
• Molecular Formula: C₂₁H₂₃NO₅S
• Molecular Weight: 401.48
• CAS Registry Number: 87424-25-7
• SMILES: [C@@H]3(NC(=O)C)C1=CC(=O)C(=CC=C1C2=C(C=C(O)C(=C2OC)OC)CC3)SC
• InChI: 1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
• InChIKey: PKYOHQGXPPVIGD-HNNXBMFYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 769.006°C at 760 mmHg (Cal.)
• Flash point: 418.88°C (Cal.)