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Screening compounds

Atisine

Also known as Anthorine

Formula C22H33NO2Molar mass 343.51 g/mol
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Atisine chemical structure, C22H33NO2
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C22H33NO2
Molar mass
343.51 g/mol
HS code
293499
Category
Screening compounds

What is Atisine?

Plain description, key identifiers and synonyms

(1S,2R,4S,6S,7S,10R,11R,17S)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol has been reported in Aconitum palmatum, Aconitum tanguticum, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,4S,6S,7S,10R,11R,17S)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol
Molecular formula
C22H33NO2
UNII
V81K1MMX3X
InChIKey
KWVIBDAKHDJCNY-VJAZUCGMSA-N
InChI
InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18-,19-,20-,21-,22-/m0/s1
Canonical SMILES
C=C1C2CCC3(CCC4C5(C)CCCC4(C4OCCN4C5)C3C2)C1O
Isomeric SMILES
C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3C[C@H](CC4)C(=C)[C@@H]5O)[C@H]6N(C2)CCO6

Synonyms

  • Anthorine

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
343.51 g/molcalc.
Exact mass
343.2511 Dacalc.
LogP (octanol/water)
3.58calc.
Topological polar surface area
32.7 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
25calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (0 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, C=C1CC23CCC1CC2C12CCCC(CN4CCOC41)C2CC3

C=C1CC23CCC1CC2C12CCCC(CN4CCOC41)C2CC3

7 rings, 23 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Atisine suppliers

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Atisine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Atisine?

(1S,2R,4S,6S,7S,10R,11R,17S)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol has been reported in Aconitum palmatum, Aconitum tanguticum, and other organisms.

What is the molecular formula and weight of Atisine?

The molecular formula of Atisine is C22H33NO2 and its molar mass is 343.51 g/mol.

What is Atisine used for?

Known uses and roles of Atisine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Atisine hazardous?

No GHS hazard classification for Atisine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Atisine?

Atisine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Atisine?

Post a free request on CompoundList and suppliers of Atisine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Atisine?

Suppliers quote Atisine 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 Atisine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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