Aconitine (principal alkaloid of Aconitum napellus L.) and its salts
⚠ EU RestrictedIdentification
CAS Number 302-27-2
EINECS / EC 206-121-7
CosIng Ref 28849
Chemical Name [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
IUPAC Name —
Formula C34H47NO11
Mol. Weight 645.7 g/mol
SMILES CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
InChIKey XFSBVAOIAHNAPC-XTHSEXKGSA-N
Function & Classification
EU Regulatory Status
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NOAEL · Dermal Absorption % · Sensitization
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Usage Level % · Addition Phase · Solubility
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