Jesaconitine

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

MedKoo CAT#: 596216

CAS#: 16298-90-1

Description: Jesaconitine is an Aconitine analog. Aconitine alkaloid pharmacokinetic analgesic. A highly poisonous, neurotoxic alkaloid.


Chemical Structure

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Jesaconitine
CAS# 16298-90-1

Theoretical Analysis

MedKoo Cat#: 596216
Name: Jesaconitine
CAS#: 16298-90-1
Chemical Formula: C35H49NO12
Exact Mass: 675.3255
Molecular Weight: 675.77
Elemental Analysis: C, 62.21; H, 7.31; N, 2.07; O, 28.41

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: Jesaconitine; Diesaconitine; BRN 0075405; BRN-0075405; BRN0075405;

IUPAC/Chemical Name: (3R,4R,6S,6aS,7R,7aR,8R,9R,10S,11S,11aR,12R,12aR,13R,14S)-11a-acetoxy-1-ethyl-4,9,11-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl 4-methoxybenzoate

InChi Key: MGTJNQWIXFSPLC-DMCHUPBKSA-N

InChi Code: InChI=1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27-,28+,29-,30+,32+,33-,34+,35-/m1/s1

SMILES Code: CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]2[C@@H](OC)[C@H]([C@]5(OC(C)=O)[C@@H]6[C@H]4C[C@@]([C@@H](OC)[C@@H]5O)(O)[C@@H]6OC(C7=CC=C(OC)C=C7)=O)[C@H]31

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: >2 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: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 675.77 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

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1: Ohno Y. Tetrodotoxin-Medicated Delay in Aconitine Toxicity: A Murder in Okinawa. Forensic Sci Rev. 2014 Jul;26(2):139-44. Review. PubMed PMID: 26227030.

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4: Niitsu H, Fujita Y, Fujita S, Kumagai R, Takamiya M, Aoki Y, Dewa K. Distribution of Aconitum alkaloids in autopsy cases of aconite poisoning. Forensic Sci Int. 2013 Apr 10;227(1-3):111-7. doi: 10.1016/j.forsciint.2012.10.021. Epub 2012 Nov 3. PubMed PMID: 23131306.

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7: Kasahara Y, Itou T. [Simultaneous determination of aconitine analogues in Aconitum plants and foods that caused food poisoning by liquid chromatography with tandem mass spectrometry]. Shokuhin Eiseigaku Zasshi. 2008 Apr;49(2):76-81. Japanese. PubMed PMID: 18503242.

8: Kido K, Edakuni K, Morinaga O, Tanaka H, Shoyama Y. An enzyme-linked immunosorbent assay for aconitine-type alkaloids using an anti-aconitine monoclonal antibody. Anal Chim Acta. 2008 May 26;616(1):109-14. doi: 10.1016/j.aca.2008.04.002. Epub 2008 Apr 8. PubMed PMID: 18471491.

9: Fujita Y, Terui K, Fujita M, Kakizaki A, Sato N, Oikawa K, Aoki H, Takahashi K, Endo S. Five cases of aconite poisoning: toxicokinetics of aconitines. J Anal Toxicol. 2007 Apr;31(3):132-7. PubMed PMID: 17579959.

10: Kaneko R, Hattori S, Furuta S, Hamajima M, Hirata Y, Watanabe K, Seno H, Ishii A. Sensitive analysis of aconitine, hypaconitine, mesaconitine and jesaconitine in human body fluids and Aconitum tubers by LC/ESI-TOF-MS. J Mass Spectrom. 2006 Jun;41(6):810-4. PubMed PMID: 16770829.

11: Hayashida M, Hayakawa H, Wada K, Yamada T, Nihira M, Ohno Y. A column-switching LC/MS/ESI method for detecting tetrodotoxin and Aconitum alkaloids in serum. Leg Med (Tokyo). 2003 Mar;5 Suppl 1:S101-4. PubMed PMID: 12935563.

12: Ito K, Tanaka S, Funayama M, Mizugaki M. Distribution of Aconitum alkaloids in body fluids and tissues in a suicidal case of aconite ingestion. J Anal Toxicol. 2000 Jul-Aug;24(5):348-53. PubMed PMID: 10926358.

13: Ohta H, Seto Y, Tsunoda N, Takahashi Y, Matsuura K, Ogasawara K. Determination of Aconitum alkaloids in blood and urine samples. II. Capillary liquid chromatographic-frit fast atom bombardment mass spectrometric analysis. J Chromatogr B Biomed Sci Appl. 1998 Sep 4;714(2):215-21. PubMed PMID: 9766861.

14: Ohta H, Seto Y, Tsunoda N. Determination of Aconitum alkaloids in blood and urine samples. I. High-performance liquid chromatographic separation, solid-phase extraction and mass spectrometric confirmation. J Chromatogr B Biomed Sci Appl. 1997 Apr 11;691(2):351-6. PubMed PMID: 9174271.

15: Yoshioka N, Gonmori K, Tagashira A, Boonhooi O, Hayashi M, Saito Y, Mizugaki M. A case of aconitine poisoning with analysis of aconitine alkaloids by GC/SIM. Forensic Sci Int. 1996 Aug 15;81(2-3):117-23. PubMed PMID: 8837486.

16: Ito K, Ohyama Y, Hishinuma T, Mizugaki M. Determination of Aconitum alkaloids in the tubers of Aconitum japonicum using gas chromatography/selected ion monitoring. Planta Med. 1996 Feb;62(1):57-9. PubMed PMID: 17252409.

17: Murayama M, Mori T, Bando H, Amiya T. Studies on the constituents of Aconitum species. IX. The pharmacological properties of pyro-type aconitine alkaloids, components of processed aconite powder 'kako-bushi-matsu': analgesic, antiinflammatory and acute toxic activities. J Ethnopharmacol. 1991 Dec;35(2):159-64. PubMed PMID: 1809822.

18: Mori T, Murayama M, Bando H, Kawahara N. Studies on the constituents of Aconitum species. XII. Syntheses of jesaconitine derivatives and their analgesic and toxic activities. Chem Pharm Bull (Tokyo). 1991 Feb;39(2):379-83. PubMed PMID: 2054861.

19: Mori A, Mukaida M, Ishiyama I, Hori J, Okada Y, Sasaki M, Mii K, Mizugaki M. [Homicidal poisoning by aconite: report of a case from the viewpoint of clinical forensic medicine]. Nihon Hoigaku Zasshi. 1990 Aug;44(4):352-7. Japanese. PubMed PMID: 2266613.