Allocolchicine
[CAS# 641-28-1]

Identification

• Name: Allocolchicine
• Synonyms: 5H-Dibenzo(A,C)Cycloheptene-3-Carboxylic Acid, 6,7-Dihydro-5-(Acetylamino)-9,10,11-Trimethoxy-, Methyl Ester, (S)-; Allocolchicin; Brn 2955763
• Molecular Formula: C₂₂H₂₅NO₆
• Molecular Weight: 399.44
• CAS Registry Number: 641-28-1
• SMILES: [C@@H]3(NC(=O)C)C1=CC(=CC=C1C2=C(OC)C(=C(OC)C=C2CC3)OC)C(OC)=O
• InChI: 1S/C22H25NO6/c1-12(24)23-17-9-7-13-11-18(26-2)20(27-3)21(28-4)19(13)15-8-6-14(10-16(15)17)22(25)29-5/h6,8,10-11,17H,7,9H2,1-5H3,(H,23,24)/t17-/m0/s1
• InChIKey: NMKUAEKKJQYLHK-KRWDZBQOSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 626.386°C at 760 mmHg (Cal.)
• Flash point: 332.626°C (Cal.)