| Identification | Back Directory | [Name]
benzoylaconine | [CAS]
466-24-0 | [Synonyms]
Isaconitine
Pikraconitin
Picraconitine
enzoylaconitine
Benzoylaconitine
14-Benzoylaconine
14-O-Benzoylaconine
Aconine 14-benzoate
8-O-deacetylaconitine
(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-3,8,1...
20-Ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15α-pentol 14-benzoate
(15S,16S)-20-Ethyl-1α,6α,16-trimethoxy-4-(methoxymethyl)aconitane-3α,8,13,14α,15-pentol 14-benzoate
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-benzoate, (1α,3α,6α,14α,15α,16β)-
(3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,13R,14S)-1-ethyl-4,9,11,11a-tetrahydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate | [EINECS(EC#)]
200-001-8 | [Molecular Formula]
C32H45NO10 | [MDL Number]
MFCD01704309 | [MOL File]
466-24-0.mol | [Molecular Weight]
603.705 |
| Chemical Properties | Back Directory | [Melting point ]
130°C | [Boiling point ]
652.37°C (rough estimate) | [density ]
1.40 | [refractive index ]
1.6310 (estimate) | [storage temp. ]
2-8°C | [solubility ]
DMF: 25 mg/ml; DMSO: 20 mg/ml; Ethanol: 25 mg/ml; PBS (pH 7.2): 10 mg/ml | [form ]
A crystalline solid | [pka]
11.94±0.70(Predicted) | [color ]
White to light yellow | [InChIKey]
DHJXZSFKLJCHLH-UGVCADCUNA-N |
| Safety Data | Back Directory | [Safety Profile]
Poison by intravenous
and intraperitoneal routes. When heated to
decomposition it emits toxic fumes of NOx. |
| Hazard Information | Back Directory | [Chemical Properties]
White crystals, soluble in methanol, ethanol, isopropanol, chloroform, slightly soluble in water, derived from Aconitum carmichaeli Debx.; Aconitum carmichaeli. | [Uses]
Benzoylaconine is a diterpenoid alkaloid that was discovered as antidote to aconitine-type neurotoxin poisoning. | [Definition]
ChEBI: Benzoylaconine is a diterpene alkaloid with formula C32H45NO10 that is isolated from several Aconitum species. It has a role as a plant metabolite and a phytotoxin. It is a benzoate ester, a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a secondary alcohol, a tertiary alcohol, a tetrol and a tertiary amino compound. It derives from a hydride of an aconitane. |
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