Mesaconitine hydrobromide

[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate bromide

CAS: 71425-64-4

Molecular Formula	`C33H46BrNO11`
Molecular Weight	712.6 g/mol
Topological Polar Surface Area	155.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	711.2254
Heavy Atoms	46
Complexity	1200.0

Chemical Identifiers

CAS Number	71425-64-4
SMILES	`CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6[NH+](C7)C)OC)COC)O)OC.[Br-]`
InChIKey	`BQESRYPXHSPANU-OYWJMVQSSA-N`

📖 Product Overview

Mesaconitine hydrobromide (CAS: 71425-64-4) is a chemical compound with molecular formula C33H46BrNO11 and molecular weight 712.6 g/mol. Its IUPAC systematic name is [(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate bromide. Topological Polar Surface Area 155.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 10 Exact Mass 711.2254 Heavy Atoms 46 Complexity 1200.0 InChI Key: BQESRYPXHSPANU-OYWJMVQSSA-N. SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6[NH+](C7)C)OC)COC)O)OC.[Br-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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