Synonym
Benzoylaconine; Isaconitine; Pikraconitin
IUPAC/Chemical Name
14-O-Benzoylaconine
InChi Key
DHJXZSFKLJCHLH-BMTFSNIDSA-N
InChi Code
InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26-,27+,29+,30-,31+,32-/m1/s1
SMILES Code
CCN1[C@@]2([H])[C@@]34[C@]([C@@](C1)(COC)[C@H](O)C[C@@H]4OC)([H])[C@@H](OC)[C@]2([H])[C@]5(O)[C@]([C@@H](OC(C6=CC=CC=C6)=O)[C@@]7(O)[C@@H](OC)[C@@H]5O)([H])[C@]3(C7)[H]
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
603.71
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1. Tursunkhodzhaeva, F.M., Dzhakhangirov, F.N., and Salimov, B.T. Diterpenoid alkaloids as antidotes to aconitine-type neurotoxin poisoning. Structure–activity relationship. Chem. Nat. Compd. 52(5), 849-852 (2016).
2. Wu, J.-J., Zhu, Y.-F., Guo, Z.-Z., et al. Aconitum alkaloids, the major components of Aconitum species, affect expression of multidrug resistance-associated protein 2 and breast cancer resistance protein by activating the Nrf2-mediated signalling pathway. Phytomedicine 44, 87-97 (2018).
3. Wu, J., Lin, N., Li, F., et al. Induction of P-glycoprotein expression and activity by Aconitum alkaloids: Implication for clinical drug-drug interactions. Sci. Rep. 6:25343, (2016).
