N-Caffeoyl-N-deacetylcolchicine

Base Information

• Chemical Name: N-Caffeoyl-N-deacetylcolchicine
• CAS No.: 134568-34-6
• Molecular Formula: C29H29NO8
• Molecular Weight: 519.5425
• ChEMBL ID: CHEMBL465445
• Mol file: 134568-34-6.mol

Synonyms:N-Caffeoyl-N-deacetylcolchicine;134568-34-6;2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-;2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-;CHEMBL465445;(E)-3-(3,4-dihydroxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]prop-2-enamide

Chemical Property of N-Caffeoyl-N-deacetylcolchicine

Chemical Property:

• Vapor Pressure: 8.25E-33mmHg at 25°C
• Boiling Point: 881.5°C at 760 mmHg
• Flash Point: 486.9°C
• Density: 1.36g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 519.18931688
• Heavy Atom Count: 38
• Complexity: 1000

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C=CC4=CC(=C(C=C4)O)O
• Isomeric SMILES: COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)/C=C/C4=CC(=C(C=C4)O)O