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Heterocyclic building blocks

Alloxan monohydrate

Also known as Alloxan hydrate, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-, Barbituric acid, 5,5-dihydroxy-

CAS 3237-50-1Formula C4H4N2O5Molar mass 160.09 g/molEC 221-796-8
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Alloxan monohydrate chemical structure, C4H4N2O5, CAS 3237-50-1
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Crystals
Melting point
240 °C
Boiling point
Sublimes (vacuum) (NTP, 1992)
Solubility
Greater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992)
HS code
293359
Category
Heterocyclic building blocks
Illustrative photo, closed jumbo bulk bags in a warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Alloxan monohydrate?

Plain description, key identifiers and synonyms

Triclinic piacoidal crystals. White granular solid. (NTP, 1992)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,5-dihydroxy-1,3-diazinane-2,4,6-trione
CAS number
3237-50-1 CAS number cross-checked
EC number
221-796-8
Molecular formula
C4H4N2O5
UNII
O2AAP9F8B6
InChIKey
ZIIHZVKHFWOENY-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)
SMILES (canonical and isomeric)
C1(=O)C(C(=O)NC(=O)N1)(O)O

Synonyms

  • Alloxan hydrate
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-
  • Barbituric acid, 5,5-dihydroxy-
  • 5,5-Dihydroxybarbituric acid
  • Mesoxalylurea monohydrate
  • 5,5-Dihydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate
  • Mesoxalylcarbamide monohydrate
  • 5-24-09-00382 (Beilstein Handbook Reference)
  • Pyrimidinetetrone hydrate
  • 5-Oxobarbituric acid monohydrate
  • 2,4,5,6(1H,3H)Pyrimidinetetrone hydrate
  • 2,4,5,6Tetraoxohexahydropyrimidine hydrate
  • 2,4,5,6(1H,3H)Pyrimidinetetrone, monohydrate
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-(9CI)
  • Alloxane monohydrate
  • 5,5-dihydroxy-1,3-diazinane-2,4,6-trione
  • 5,5-dihydroxypyrimidine-2,4,6(1H,3H,5H)-trione
  • 5,5-Dihydroxyperhydropyrimidinetrione
  • 5,5-dihydroxy-1,3,5-trihydropyrimidine-2,4,6-trione
  • alloxanmonohydrat
  • Barbituric acid,5-dihydroxy-
  • Ziihzvkhfwoeny-uhfffaoysa-
  • 5,5-Dihydroxyl pyrimidine-2,4,6-trione
  • 2,5,6(1H,3H)-Pyrimidinetetrone hydrate
Show all 28 synonyms
  • 2,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
  • 2,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-
  • 5,5-Dihydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione #

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

Physical form
Crystalsexp.
Melting point
240 °Cexp.
Boiling point
Sublimes (vacuum) (NTP, 1992)exp.
Solubility
Greater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992)exp.

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
160.09 g/molcalc.
Exact mass
160.012 Dacalc.
LogP (octanol/water)
-2.97calc.
Topological polar surface area
115.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.25calc.
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(=O)NC(=O)N1

O=C1CC(=O)NC(=O)N1

1 ring, 9 atoms, the Barbituric acid ring system.

747 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.

Alloxan monohydrate suppliers

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All 7 suppliers
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Where suppliers are based

7 suppliers in 1 country

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Alloxan monohydrate 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 Alloxan monohydrate is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Alloxan monohydrate, based on the data on this page

What is Alloxan monohydrate?

Triclinic piacoidal crystals. White granular solid. (NTP, 1992)

What is the CAS number of Alloxan monohydrate?

The CAS registry number of Alloxan monohydrate is 3237-50-1.

What is the molecular formula and weight of Alloxan monohydrate?

The molecular formula of Alloxan monohydrate is C4H4N2O5 and its molar mass is 160.09 g/mol.

What is Alloxan monohydrate used for?

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

Is Alloxan monohydrate hazardous?

No GHS hazard classification for Alloxan monohydrate 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 Alloxan monohydrate?

Alloxan monohydrate is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Alloxan monohydrate?

CompoundList lists 7 suppliers of Alloxan monohydrate in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Alloxan monohydrate in India?

6 suppliers in India list Alloxan monohydrate on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Alloxan monohydrate?

Suppliers quote Alloxan monohydrate 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 Alloxan monohydrate

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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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