[(2S,3S,4S,5R,6S,8S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate;hydrobromide

Base Information

• Chemical Name: [(2S,3S,4S,5R,6S,8S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate;hydrobromide
• CAS No.: 97792-45-5
• Molecular Formula: C38H32N44O8.HBr
• Molecular Weight: 665.61
• Hs Code.: PRICE
• European Community (EC) Number: 808-132-8
• Mol file: 97792-45-5.mol

Synonyms:allapinin;allapinine

Chemical Property of [(2S,3S,4S,5R,6S,8S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate;hydrobromide

Chemical Property:

• Appearance/Colour: white crystal
• Melting Point: 223-226 °C
• Boiling Point: 740.8 °C at 760 mmHg
• Flash Point: 401.8 °C
• PSA: 126.79000
• LogP: 3.19060
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 664.23593
• Heavy Atom Count: 43
• Complexity: 1120

Purity/Quality:

99%, ^*data from raw suppliers

Lappaconitine Hydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 28
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C.Br
• Isomeric SMILES: CCN1C[C@@]2(CC[C@@H](C34[C@@H]2CC([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C.Br
• Uses: Hydrobromide salt of (+)-Lappaconitine, a potential antitumor agent agent that induces HL-60 differentiation and apoptosis with analgesic activity as well.