MedKoo Cat#: 464797 | Name: Benzoylhypaconine
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Benzoylhypaconine is a monoester diterpene alkaloid and hydrolyzed product of hypaconitine that has been found in Aconitum and has anti-inflammatory activity. It inhibits COX-2 activity in a cell-free assay (IC50 = 20.5 µM). Benzoylhypaconine (200 mg/kg) reduces histamine-induced vascular permeability in rats.

Chemical Structure

Benzoylhypaconine
CAS#63238-66-4

Theoretical Analysis

MedKoo Cat#: 464797

Name: Benzoylhypaconine

CAS#: 63238-66-4

Chemical Formula: C31H43NO9

Exact Mass: 573.2938

Molecular Weight: 573.68

Elemental Analysis: C, 64.90; H, 7.56; N, 2.44; O, 25.10

Price and Availability

Size Price Availability Quantity
5mg USD 385.00 2 Weeks
10mg USD 700.00 2 Weeks
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Related CAS #
No Data
Synonym
Benzoylhypaconine; Benzoylhypacoitine; BHA;
IUPAC/Chemical Name
(3S,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14R)-9,11,11a-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate
InChi Key
MDFCJNFOINXVSU-LUOWNJJZSA-N
InChi Code
InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30?,31-/m1/s1
SMILES Code
CO[C@H]1CC[C@](C2)(COC)[C@]3([H])C1(C(C4[C@@H]3OC)N2C)[C@@]([H])([C@@H]([C@]4(O)[C@H]5O)[C@]6(OC(C7=CC=CC=C7)=O)[H])C[C@]6(O)[C@H]5OC
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM comments
Solubility
DMF 30.0 52.29
DMSO 30.0 52.29
Ethanol 30.0 52.29
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 573.68 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
1: Fan B, Xu S, Bi J, Huang S, Zu Z, Qian C. Simultaneous Determination of Six Alkaloids in Rat Plasma by SPE-HPLC-MS/MS and Their Pharmacokinetics after Oral Administration of Radix aconiti Preparata Extract. ACS Pharmacol Transl Sci. 2020 Dec 6;4(1):118-127. doi: 10.1021/acsptsci.0c00133. PMID: 33615166; PMCID: PMC7887741.