Benzoylaconine
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MedKoo CAT#: 584590

CAS#: 466-24-0 (free base)

Description: Benzoylaconine is an aconitine-type diterpenoid alkaloid that has been found in Aconitum species.

Chemical Structure

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Benzoylaconine
CAS# 466-24-0 (free base)
Instruction

Theoretical Analysis

MedKoo Cat#: 584590
Name: Benzoylaconine
CAS#: 466-24-0 (free base)
Chemical Formula: C32H45NO10
Exact Mass: 603.30
Molecular Weight: 603.709
Elemental Analysis: C, 63.67; H, 7.51; N, 2.32; O, 26.50

Price and Availability

Size Price Availability Quantity
1mg USD 220 2 weeks
5mg USD 460 2 weeks
10mg USD 770 2 weeks
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Related CAS #: 71402-60-3 (HBr); 466-24-0 (free base)  

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]

Appearance: Solid powder

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

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.

Recalculate based on batch purity %
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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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).