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Pharmaceuticals and APIs

Dioscorine

Also known as Dioscoreinum, Spiro(2-azabicyclo(2.2.2)octane-5,2'-(2H)pyran)-6'(3'H)-one, 2,4'-dimethyl-, (1R-(1alpha,4alpha,5alpha))-, (1R-(1alpha,4alpha,5alpha))-2,4'-DIMETHYLSPIRO(2-AZABICYCLO(2.2.2)OCTANE-5,2'-(2H)PYRAN)-6'(3'H)-ONE

CAS 3329-91-7Formula C13H19NO2Molar mass 221.30 g/mol
Drug substance
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Dioscorine chemical structure, C13H19NO2, CAS 3329-91-7
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Greenish-yellow prisms from ether
Melting point
54 to 55 °C
Solubility
SOLUBLE IN WATER, ALCOHOL, ACETONE, CHLOROFORM, SLIGHTLY SOL IN ETHER, BENZENE, PETROLEU…
HS code
293499
Category
Pharmaceuticals and APIs
Illustrative photo, yellow pigment powder in a glass jar on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Dioscorine?

Plain description, key identifiers and synonyms

Dioscorine is an azaspiro compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4R,5S)-2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
CAS number
3329-91-7 CAS number cross-checked
Molecular formula
C13H19NO2
UNII
Q4HFK9JJ1M
InChIKey
YBQKKTNDAXVYGX-WZRBSPASSA-N
InChI
InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1
Canonical SMILES
CC1=CC(=O)OC2(C1)CC1CCC2CN1C
Isomeric SMILES
CC1=CC(=O)O[C@@]2(C1)C[C@H]3CC[C@@H]2CN3C

Synonyms

  • Dioscoreinum
  • Spiro(2-azabicyclo(2.2.2)octane-5,2'-(2H)pyran)-6'(3'H)-one, 2,4'-dimethyl-, (1R-(1alpha,4alpha,5alpha))-
  • (1R-(1alpha,4alpha,5alpha))-2,4'-DIMETHYLSPIRO(2-AZABICYCLO(2.2.2)OCTANE-5,2'-(2H)PYRAN)-6'(3'H)-ONE
  • (1R,2S,4R)-4',5-Dimethylspiro[5-azabicyclo[2.2.2]octane-2,2'-pyran]-6'(3'H)-one
  • (1r-(1alpha,4alpha,5.alpha.))-2,4'-dimethylspiro(2-azabicyclo(2.2.2)octane-5,2'-(2H)pyran)-6'(3'h)-one

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

Appearance
Greenish-yellow prisms from etherexp.
Melting point
54 to 55 °Cexp.
Solubility
SOLUBLE IN WATER, ALCOHOL, ACETONE, CHLOROFORM, SLIGHTLY SOL IN ETHER, BENZENE, PETROLEUM ETHERexp.

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
221.30 g/molcalc.
Exact mass
221.1416 Dacalc.
LogP (octanol/water)
1.73calc.
Topological polar surface area
29.54 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
16calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C1C=CCC2(CC3CCC2CN3)O1

O=C1C=CCC2(CC3CCC2CN3)O1

4 rings, 14 atoms.

No other chemical in our database has 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.

Dioscorine suppliers

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Dioscorine 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • 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 Dioscorine 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 Dioscorine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Dioscorine?

Dioscorine is an azaspiro compound.

What is the CAS number of Dioscorine?

The CAS registry number of Dioscorine is 3329-91-7.

What is the molecular formula and weight of Dioscorine?

The molecular formula of Dioscorine is C13H19NO2 and its molar mass is 221.30 g/mol.

Is Dioscorine hazardous?

No GHS hazard classification for Dioscorine 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 Dioscorine?

Dioscorine 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 Dioscorine?

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What is the price of Dioscorine?

Suppliers quote Dioscorine 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 Dioscorine

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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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