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Alkaloids

Picrinine

Also known as methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate, methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-18-oxa-2,12-diazahexacyclo(9.6.1.19,15.01,9.03,8.012,17)nonadeca-3,5,7-triene-19-carboxylate, Deacetyldeformopicraline

CAS 4684-32-6Formula C20H22N2O3Molar mass 338.41 g/mol
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Picrinine chemical structure, C20H22N2O3, CAS 4684-32-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4684-32-6
Formula
C20H22N2O3
Molar mass
338.41 g/mol
HS code
293979
Category
Alkaloids

What is Picrinine?

Plain description, key identifiers and synonyms

Picrinine is a natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. It has a role as an analgesic, an antitussive, an anti-asthmatic agent, an anti-inflammatory agent and a plant metabolite. It is a methyl ester, a polycyclic ether, an organic heteropentacyclic compound, an alkaloid ester and an indole alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
CAS number
4684-32-6 CAS number cross-checked
Molecular formula
C20H22N2O3
UNII
5N79P8889U
InChIKey
BDXYPHKGNUGUFG-VETGLWQVSA-N
InChI
InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1
Canonical SMILES
CC=C1CN2C3CC45c6ccccc6NC4(O3)C2CC1C5C(=O)OC
Isomeric SMILES
C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)C(=O)OC

Synonyms

  • methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
  • methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-18-oxa-2,12-diazahexacyclo(9.6.1.19,15.01,9.03,8.012,17)nonadeca-3,5,7-triene-19-carboxylate
  • Deacetyldeformopicraline
  • 16-De[(acetyloxy)methyl]picraline
  • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2R,3E,6S,7aR,12aR,12bS,14R)-
  • methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1^{9,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3(8),4,6-triene-19-carboxylate

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
338.41 g/molcalc.
Exact mass
338.163 Dacalc.
LogP (octanol/water)
2.25calc.
Topological polar surface area
50.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
25calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CN2C3CC45CC1CC2C4(Nc1ccccc15)O3

C=C1CN2C3CC45CC1CC2C4(Nc1ccccc15)O3

6 rings, 20 atoms.

31 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.

Picrinine suppliers

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Picrinine 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

Roles

  • analgesic
  • anti-asthmatic agent
  • anti-inflammatory agent
  • antitussive
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite

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 Picrinine 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 Picrinine is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Picrinine?

Picrinine is a natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. It has a role as an analgesic, an antitussive, an anti-asthmatic agent, an anti-inflammatory agent and a plant metabolite.

What is the CAS number of Picrinine?

The CAS registry number of Picrinine is 4684-32-6.

What is the molecular formula and weight of Picrinine?

The molecular formula of Picrinine is C20H22N2O3 and its molar mass is 338.41 g/mol.

What is Picrinine used for?

Known uses and roles of Picrinine include analgesic, anti-asthmatic agent, anti-inflammatory agent, antitussive, eukaryotic metabolite and 3 more.

Is Picrinine hazardous?

No GHS hazard classification for Picrinine 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 Picrinine?

Picrinine 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 Picrinine?

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What is the price of Picrinine?

Suppliers quote Picrinine 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 Picrinine

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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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