2,6-Dihydroxypurine

Names

[ CAS No. ]:
69-89-6

[ Name ]:
2,6-Dihydroxypurine

[Synonym ]:
UREOUS ACID
Xan
xanthicoxide
Dioxopurine
9H-xanthine
2,5-DIFLUOROTHIOBENZAMIDE
usafcb-17
Xanthine
9H-Purine-2,6(1H,3H)-dione
Purine-2,6(1H,3H)-dione
Xanthin
ISOXANTHINE
2,6-Dihydroxypurine
MFCD00078453
3,7-dihydropurine-2,6-dione
Xanthione
EINECS 200-718-6
3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-
3,7-dihydro-purine-2,6-dione
2,6(1H,3H)-Purinedione

Biological Activity

[Description]:

Xanthine is a purine base found in most human body tissues and fluids and in other organisms.

[Related Catalog]:

Research Areas >> Inflammation/Immunology

Natural Products >> Others

[Target]

Human Endogenous Metabolite

[In Vitro]

A number of stimulants are derived from Xanthine including caffeine and theobromine. Xanthine is a product on the pathway of purine degradation. Xanthine is subsequently converted to uric acid by the action of the Xanthine oxidase enzyme.

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
834.9ºC at 760 mmHg

[ Melting Point ]:
300 °C

[ Molecular Formula ]:
C₅H₄N₄O₂

[ Molecular Weight ]:
152.111

[ Flash Point ]:
458.7ºC

[ Exact Mass ]:
152.033432

[ PSA ]:
94.40000

[ LogP ]:
-0.81

[ Index of Refraction ]:
1.636

[ Storage condition ]:
Store at RT.

[ Water Solubility ]:
NH4OH: freely soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZD7700000

CHEMICAL NAME :: Xanthine

CAS REGISTRY NUMBER :: 69-89-6

LAST UPDATED :: 199701

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C5-H4-N4-O2

MOLECULAR WEIGHT :: 152.13

WISWESSER LINE NOTATION :: T56 BM DN FMVMVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3333 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3600 mg/kg/18W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 80 mg/kg

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - tumors

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 262 umol/L

REFERENCE :: MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1986- Volume(issue)/page/year: 3,193,1988 *** REVIEWS *** TOXICOLOGY REVIEW AEHLAU Archives of Environmental Health. (Heldref Pub., 4000 Albemarle St., NW, Washington, DC 20016) V.1- 1960- Volume(issue)/page/year: 23,6,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3901 No. of Facilities: 68 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 2546 (estimated) No. of Female Employees: 786 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H317-H319

[ Precautionary Statements ]:
P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36;R43

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
ZD7700000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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