CompoundList
Sign in
Alkaloids

Aconitine

Also known as Acetylbenzoylaconine, Aconitinum, Acetylbenzoyl aconine

CAS 302-27-2Formula C34H47NO11Molar mass 645.75 g/molEC 206-121-7
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 23 suppliers listed Drug substance
Get quotes Compare 23 suppliers
Aconitine chemical structure, C34H47NO11, CAS 302-27-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
302-27-2
Formula
C34H47NO11
Molar mass
645.75 g/mol
EC number
206-121-7
HS code
293979
Category
Alkaloids

What is Aconitine?

Plain description, key identifiers and synonyms

Aconitine is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. It is functionally related to an aconitane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
CAS number
302-27-2 CAS number cross-checked
EC number
206-121-7
Molecular formula
C34H47NO11
MDL number
MFCD00082375
InChIKey
XFSBVAOIAHNAPC-XTHSEXKGSA-N
InChI
InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
Canonical SMILES
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
Isomeric SMILES
CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC

Synonyms

  • Acetylbenzoylaconine
  • Aconitinum
  • Acetylbenzoyl aconine
  • Aconitin cristallisat
  • 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate
  • Acetylbenzoyl-aconine
  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
  • (1Alpha,3Alpha,6Alpha,14Alpha,15Alpha,16Beta)-20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitane-3,8,13,14,15-Pentol 8-Acetate 14-Benzoate
  • (8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-4-yl) benzoate
  • 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate
  • b]azocin-8-yl benzoate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
645.75 g/molcalc.
Exact mass
645.3149 Dacalc.
LogP (octanol/water)
0.65calc.
Topological polar surface area
153.5 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
9calc.
Heavy atoms
46calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
15calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

O=C(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

7 rings, 28 atoms.

175 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H330Fatal if inhaled.
Precautionary statements (14)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Aconitine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 23 suppliers
23 of 23 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

23 suppliers in 7 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Aconitine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Adjuvants, Immunologic
  • Voltage-Gated Sodium Channel Agonists

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 614-008-00-2

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Aconitine (principal alkaloid of Aconitum napellus L.) and its salts, Ref no: 12, Annex ref: II/12
  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Aconitine is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Aconitine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Aconitine, based on the data on this page

What is Aconitine?

Aconitine is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. It is functionally related to an aconitane.

What is the CAS number of Aconitine?

The CAS registry number of Aconitine is 302-27-2.

What is the molecular formula and weight of Aconitine?

The molecular formula of Aconitine is C34H47NO11 and its molar mass is 645.75 g/mol.

What is Aconitine used for?

Known uses and roles of Aconitine include adjuvants, immunologic and voltage-gated sodium channel agonists.

Is Aconitine hazardous?

Aconitine carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Aconitine?

Aconitine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aconitine?

CompoundList lists 23 suppliers of Aconitine in United States, China, Germany, Spain and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Aconitine in India?

1 supplier in India list Aconitine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Aconitine?

Suppliers quote Aconitine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Aconitine

Get quotes for Aconitine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Aconitine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Aconitine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/aconitine-302-27-2" title="Aconitine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Alkaloids or HS code 293979

23 suppliers
Free quotes, contact stays private
Get quotes