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Heterocyclic compounds

Orellanine

Also known as 2-(1,3-dihydroxy-4-oxopyridin-2-yl)-1,3-dihydroxypyridin-4-one, (2,2'-Bipyridine)-3,3',4,4'-tetrol, 1,1'-dioxide, [2,2'-Bipyridine]-3,3',4,4'-tetrol, 1,1'-dioxide

CAS 37338-80-0Formula C10H8N2O6Molar mass 252.18 g/mol
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Orellanine chemical structure, C10H8N2O6, CAS 37338-80-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
37338-80-0
Formula
C10H8N2O6
Molar mass
252.18 g/mol
HS code
293339
Category
Heterocyclic compounds

What is Orellanine?

Plain description, key identifiers and synonyms

Orellanine is a member of bipyridines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(1,3-dihydroxy-4-oxo-2-pyridinyl)-1,3-dihydroxypyridin-4-one
CAS number
37338-80-0
Molecular formula
C10H8N2O6
UNII
082U1GSX3D
InChIKey
JGRNMEQUBVRSQR-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O6/c13-5-1-3-11(17)7(9(5)15)8-10(16)6(14)2-4-12(8)18/h1-4,15-18H
SMILES (canonical and isomeric)
C1=CN(C(=C(C1=O)O)C2=C(C(=O)C=CN2O)O)O

Synonyms

  • 2-(1,3-dihydroxy-4-oxopyridin-2-yl)-1,3-dihydroxypyridin-4-one
  • (2,2'-Bipyridine)-3,3',4,4'-tetrol, 1,1'-dioxide
  • [2,2'-Bipyridine]-3,3',4,4'-tetrol, 1,1'-dioxide
  • 3,3',4,4'-tetrahydroxy-2,2'-bipyridyl-N,N'-dioxide
  • 3,3',4,4'-tetrahydroxy-[2,2'-bipyridine] 1,1'-dioxide
  • 3,3',4,4'-Tetrahydroxy-2,2'-bipyridine-1,1'-dioxide
  • 2-(3,4-Dihydroxy-1-oxidopyridin-1-ium-2-yl)-3,4-dihydroxypyridin-1-ium-1-olate

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
252.18 g/molcalc.
Exact mass
252.0382 Dacalc.
LogP (octanol/water)
-0.44calc.
Topological polar surface area
124.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
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=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1

O=c1cc[nH]c(-c2cc(=O)cc[nH]2)c1

2 rings, 14 atoms, the 4,4'-Dihydroxy-2,2'-bipyridine ring system.

4 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.

Orellanine suppliers

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Orellanine 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

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 Orellanine is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Orellanine?

Orellanine is a member of bipyridines.

What is the CAS number of Orellanine?

The CAS registry number of Orellanine is 37338-80-0.

What is the molecular formula and weight of Orellanine?

The molecular formula of Orellanine is C10H8N2O6 and its molar mass is 252.18 g/mol.

Is Orellanine hazardous?

No GHS hazard classification for Orellanine 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 Orellanine?

Orellanine is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orellanine?

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What is the price of Orellanine?

Suppliers quote Orellanine 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 Orellanine

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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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