MedKoo Cat#: 112048 | Name: 3-Acetylaconitine
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Description:

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

3-Acetylaconitine is a diterpene alkaloid that is cytotoxic to P388 leukemia cells (IC50 = 18.6 µM) and inhibits brevetoxin binding (IC50 = 1.3 µM), and increases free sodium and calcium concentrations in, rat brain synaptosomes. 3-Acetylaconitine (60-100 nM) induces arrhythmia in isolated guinea pig atria.

Chemical Structure

3-Acetylaconitine
3-Acetylaconitine
CAS#77181-26-1

Theoretical Analysis

MedKoo Cat#: 112048

Name: 3-Acetylaconitine

CAS#: 77181-26-1

Chemical Formula: C36H49NO12

Exact Mass: 687.3255

Molecular Weight: 687.78

Elemental Analysis: C, 62.87; H, 7.18; N, 2.04; O, 27.91

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 600.00 2 Weeks
25mg USD 1,050.00 2 Weeks
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Related CAS #
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Synonym
Flaconitine; Monoacetylaconitine; 3-Acetylaconitine; 3Acetylaconitine; 3 Acetylaconitine
IUPAC/Chemical Name
(3R,4R,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14S)-8-(benzoyloxy)-1-ethyl-9,11-dihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-11aH-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,11a-diyl diacetate
InChi Key
RIPYIJVYDYCPKW-MYPIPRNYSA-N
InChi Code
InChI=1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25?,26+,27-,28?,29+,30-,31+,33+,34-,35?,36-/m1/s1
SMILES Code
CO[C@H](C([C@]1([C@@]23COC)[H])(C(C4[C@@H]1OC)N(CC)C3)[C@@]([H])([C@@H]([C@]4(OC(C)=O)[C@H]5O)[C@]6(OC(C7=CC=CC=C7)=O)[H])C[C@]6(O)[C@H]5OC)C[C@H]2OC(C)=O
Appearance
Solid powder
Purity
>95% (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

Preparing Stock Solutions

The following data is based on the product molecular weight 687.78 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