Alloxan monohydrate - ≥98% , CAS No.2244-11-3

CAS: 2244-11-3 Cat. No.: A109024 Formula: C₄H₂N₂O₄ · H₂O Molecular Weight: 160.08 Beilstein Registry Number: 4573597 EC Number: 607-078-0

GRADE & PURITY ≥98%

Synonyms

1,3-diazinane-2,4,5,6-tetrone hydrate|Pyrimidine-2,4,5,6(1H,3H)-tetraone monohydrate|Alloxan (hydrate)|5,6-Dioxyuracil|Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate|2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate|2,4,5,6-Tetraoxohexahydropyrimidine hydrate|1,3-diazinane-2,4,5,6-tetrone;hydrate|Alloxan, monohydrate|Pyrimidine-2,4,5,6(1H,3H)-tetraonehydrate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

A cytotoxic compound that causes oxidative base damage to nuclear DNA.

Specifications

Synonyms

1,3-diazinane-2,4,5,6-tetrone hydrate | Pyrimidine-2,4,5,6(1H,3H)-tetraone monohydrate | Alloxan (hydrate) | 5,6-Dioxyuracil | Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate | 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate | 2,4,5,6-Tetraoxohexahydropyrimidine hydrate | 1,3-diazinane-2,4,5,6-tetrone;hydrate | Alloxan, monohydrate | Pyrimidine- Show more

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Alloxan monohydrate is a hydrated form of Alloxan, which has been shown to destroy β cells. Alloxan is also used in research models to induce diabetes.Pyrimidine derivative. Glucose analog. Selectively cytotoxic to β-cells. Induces oxidative base damage t

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488182289

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182289

Canonical Smiles

C1(=O)C(=O)NC(=O)NC1=O.O

IUPAC Name

1,3-diazinane-2,4,5,6-tetrone;hydrate

InChIKey

DSXMTJRUNLATRP-UHFFFAOYSA-N

INCHI

1S/C4H2N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h(H2,5,6,8,9,10);1H2

Isomeric SMILES

C1(=O)C(=O)NC(=O)NC1=O.O

WGK Germany

3

RTECS

UW0492000

Molecular Weight

160.08

Beilstein

4573597

Reaxy-Rn

5309394

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5309394&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidones
          • Level6 Barbituric acid derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidones
• Direct Parent: Barbituric acid derivatives
• Alternative Parents: N-acyl ureas Diazinanes Dicarboximides Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Barbiturate - Ureide - N-acyl urea - 1,3-diazinane - Dicarboximide - Ketone - Cyclic ketone - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water (50 g/L), ethanol, acetone, glacial acetic acid, methanol, and Slightly soluble in chloroform, petroleum ether, toluene, ethyl acetate and acetic anhydride. Insoluble in ether.
• Sensitivity: Heat & Air sensitive.
• Melt Point(°C): 255 °C
• Molecular Weight: 160.090 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 160.012 Da
• Monoisotopic Mass: 160.012 Da
• Topological Polar Surface Area: 93.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 222.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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