XANTHINE

PRODUCT IDENTIFICATION
CAS NO. 69-89-6

XANTHINE

EINECS NO.

200-718-6

FORMULA C5H4N4O2
MOL WT. 152.11

H.S. CODE

 2933.59.9500

TOXICITY

  
SYNONYMS

Xanthine; 1H-Purine-2,6-diol; 2,6(1,3)-Purinedion;

2,6-Dioxo-1,2,3,6-tetrahydropurine; 2,6-Dioxopurine; 3,7-Dihydro-1H-purine-2,6-dione; 9H-Purine-2,6-(1H,3H)-dione; 9H-Purine-2,6-diol; Isoxanthine; Pseudoxanthine; Purine-2,6-(1H,3H)-dione; Purine-2,6-diol; XAN; X; Xanthic oxide; Xanthin; Other RN: 6050-36-8, 6053-41-4, 16819-86-6, 28522-58-9, 33669-67-9, 42911-15-9, 51953-26-5
SMILES c12c(c([nH]c([nH]1)=O)=O)[nH]cn2

CLASSIFICATION

Nucleotide

EXTRA NOTES

 A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed)
EPA Pesticide Chemical Code 116900.

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE yellowish crystalline powder
MELTING POINT >300 C (Sublimes)
BOILING POINT  
SPECIFIC GRAVITY  
SOLUBILITY IN WATER 1g/14.5l
SOLVENT SOLUBILITY soluble in potassium hydroxide, sodium hydroxide
VAPOR DENSITY  

AUTOIGNITION

 

pKa 7.53 (Dissociation Constant at 25 C)
log P -0.73 (Octanol-water)
VAPOR PRESSURE 2.64E-10 (mmHg at 25 C)
HENRY LAW CONSTANT 3.73E-14 (atm-m3/mole at 25 C)
OH RATE CONSTANT 5.48E-11 (cm3/molecule-sec at 25 C Atmospheric)

NFPA RATINGS

 Health: 2 Flammability: 1 Reactivity: 0

REFRACTIVE INDEX

 

FLASH POINT  
STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

Drug Information Portal (U.S. National Library of Medicine) - Xanthine

PubChem Compound Summary - Xanthine

Drug Bank -  Xanthine

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Xanthine

http://www.ebi.ac.uk/chebi/ -  Xanthine

http://www.ncbi.nlm.nih.gov/ -  Xanthine

Human Metabolome Database - Xanthine

Material Safety Data Sheet

http://www.sciencedirect.com/
The methylxanthine caffeine has many pharmacological effects, most of which can be linked to blockade of adenosine receptors, inhibition of phosphodiesterases, and augmentation of calcium-dependent release of calcium from intracellular stores. A variety of xanthines have been developed as potent and/or selective antagonists for adenosine receptors. Several xanthines have been developed that are more potent and more selective inhibitors of cyclic nucleotide phosphodiesterase than caffeine or theophylline. Caffeine remains the xanthine of choice for activation of intracellular calcium-sensitive calcium release channels although millimolar concentrations are required, which can have effects on other aspects of calcium regulation.

Local:
Xanthine, also known as dioxopurine is a a precursor of uric acid and is found in blood and urine, muscle tissue and in certain plants. It is a toxic yellowish white powder insoluble in water and acids but soluble in caustic soda; sublimes when heated. It is involved in purine degradation and is converted to uric acid by xanthine oxidase. Purine is a heterocyclic compound featured by a fused pyrimidine and imidazole rings composed of carbon and nitrogen atoms. The simplest one is purine itself and the two major purines are adenine (6-Aminopurine) and guanine (2-Amino-6-hydroxypurine). Other important purines are caffeine, uric acid, theobromine, and theophylline. Purine and its derivatives are biologically important components of nucleic acids (DNA, RNA) and coenzymes. Xanthine and its analogues are used in medicine as a chemical intermediate.

SALES SPECIFICATION

APPEARANCE

 yellowish crystalline powder
ASSAY

98.0 - 102.0%

LOSS ON DRYING 0.5% max
TRANSPORTATION
PACKING
 
HAZARD CLASS  
UN NO. Not regulated
SAFETY INFORMATION

HAZARD OVERVIEW

Causes eye, skin, and respiratory tract irritation. Target Organs: Kidneys, respiratory system, eyes, skin.

GHS

 
SIGNAL WORD Warning

PICTOGRAMS

HAZARD STATEMENTS

H315:  Causes skin irritation
H319:  Causes serious eye irritation
H335:  May cause respiratory irritation

PRECAUTIONARY STATEMENTS

P261:  Avoid breathing dust/fume/gas/mist/vapors/spray
P280:  Wear protective gloves/protective clothing/eye protection/face protection
P302+ P352:  IF ON SKIN: Wash with plenty of soap and water
P305 + P351 + P338:  IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing

EC DIRECTIVES

 
HAZARD CODES

Xi Irritant

RISK PHRASES

36/37/38:  Irritating to eyes, respiratory system and skin.

SAFETY PHRASES

26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
37/39:  Wear suitable gloves and eye/face protection

PRICE INFORMATION