Products Categories
| CAS No.: | 315-30-0 |
|---|---|
| Name: | Allopurinol |
| Molecular Structure: | |
|
|
|
| Formula: | C5H4N4O |
| Molecular Weight: | 136.113 |
| Synonyms: | 4H-Pyrazolo(3,4-d)pyrimidin-4-one;Hexanuret;Apulonga;1H-Pyrazolo(3,4-d)pyrimidin-4-ol;Zyloric;4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine;Lopurin;Monarch;Takanarumin;Dabrosin;Uricemil;Suspendol;2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-trien-5-one;BW 56-158;Urbol;1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidine-4-one;Alositol;Allozym;Foligan;Milurit;Apurin;Alopurinol [INN-Spanish];Allopurinolum [INN-Latin];Allopurinol (JP14/USP);1, 5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one;4-Hydroxypyrazolyl(3,4-d)pyrimidine;Dura Al;Zyloprim (TN);Urtias 100;Ailural;4H-Pyrazolo[3, 4-d]pyrimidin-4-one, 1,5-dihydro-;Urolit;4-Hydroxypyrazolyl[3, 4-d]pyrimidine;4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5- dihydro-;Epuric;1H-Pyrazolo[3, 4-d]pyrimidin-4-ol;Gotax;4-Hydroxypyrazolo[3,4-d]pyrimidine;Anoprolin;4-Hydroxy-1H-pyrazolo(3,4-d)pyrimidine;Aluline;Cellidrin;HPP;4-Hydroxypyrazolol(3,4-d)pyrimidine;Allo-Puren;4-Hydroxypyrazolopyrimidine;Nektrohan;Geapur; |
| EINECS: | 206-250-9 |
| Density: | 1.702 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 423.27 °C at 760 mmHg |
| Flash Point: | 209.787 °C |
| Solubility: | 0.35 g/L (25 °C) in water |
| Appearance: | white to off-white solid |
| Hazard Symbols: |
 Xi, T,
 Xn
|
| Risk Codes: | 25-43-36/37/38-20/21/22 |
| Safety: | 28-36/37-45-36/37/39-26-24-36 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 74.43000 |
| LogP: | -0.35380 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 64-18-6
formic acid
- 25229-97-4
2-cyano-3-morpholinoacrylamide
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
| Conditions | Yield |
|---|---|
| Stage #1: 2-cyano-3-morpholinoacrylamide With hydrazine hydrate In water at 90 - 100℃; Stage #2: formic acid; formamide at 100 - 170℃; | 96% |
- 90914-36-6
3-methylthio-4-hydroxypyrazolo<3,4-d>pyrimidine
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
| Conditions | Yield |
|---|---|
| nickel In ethanol for 40h; Heating; | 66% |
A
- 50-00-0
formaldehyd
B
- 62642-62-0
4-(morpholinomethyl)benzoic acid
C
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
| Conditions | Yield |
|---|---|
| In water at 37℃; Product distribution; phosphate buffer pH=7.4, human plasma; other N-subst. N-<<<(aminomethyl)benzoyl>oxy>methyl> drug derivatives; time course of the reaction; |
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 29097-00-5
3-amino-1H-pyrazole-4-carboxylic acid methyl ester
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
| Conditions | Yield |
|---|---|
| at 155℃; for 11h; Temperature; |
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 15 - 30℃; for 1h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; | 81.8% |
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
- 144750-83-4
5-Iodo-4(3H)-oxo-7H-pyrazolo<3,4-d>pyrimidine
| Conditions | Yield |
|---|---|
| With N-iodo-succinimide In N,N-dimethyl-formamide at 110℃; for 18h; | 81% |
| Conditions | Yield |
|---|---|
| With caesium carbonate; copper(l) chloride In 1-methyl-pyrrolidin-2-one for 0.0833333h; Ullmann ether synthesis; microwave irradiation; | 80% |
- 15529-49-4, 41756-81-4
tris(triphenylphosphine)ruthenium(II) chloride
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane for 4h; Schlenk technique; Reflux; | 80% |
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide; trichlorophosphate for 12h; Reflux; | 76% |
| With trichlorophosphate In N,N-dimethyl-aniline for 1h; Reflux; | 72% |
| With trichlorophosphate In N,N-dimethyl-aniline at 80℃; for 2h; | 70% |
- 88496-72-4
RuCl2(1,4-bis(diphenylphosphino)butane)(PPh3)
- 315-30-0
4-hydroxypyrazolo(3,4-d)pyrimidine
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane at 20℃; for 0.5h; Schlenk technique; | 70% |
- 446-72-0Genistein
- 13739-02-1Diacerein
- 133-32-43-Indolebutyric acid
- 162515-68-62-[1-(Mercaptomethyl)cyclopropyl]acetic acid
- 111974-72-2Quetiapine fumarate
- 183321-74-6Erlotinib
- 140462-76-6Olopatadine hydrochloride
- 56-41-7L-Alanine
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Chemistry
Molecular Structure of Allopurinol (CAS NO.315-30-0):
Molecular Formula: C5H4N4O
Formula Weight: 136.11
Melting point: >300 °C(lit.)
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 74.69 Å2
Index of Refraction: 1.816
Molar Refractivity: 34.684 cm3
Molar Volume: 79.973 cm3
Surface Tension: 126.431 dyne/cm
Flash Point: 209.787 °C
Enthalpy of Vaporization: 70.382 kJ/mol
Boiling Point: 423.27 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Water Solubility: 0.35 g/L (25 °C)
Index of Refraction: 1.902
Density: 1.89 g/cm3
InChI
InChI=1/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
Smiles
c12c(ncnc1O)[nH]nc2
EINECS: 206-250-9
Product Categories: Pyrimidine; Miscellaneous Natural Products; Heterocyclic Compounds; Antitumors for Research and Experimental Use; Chemical Reagents for Pharmacology Research; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Fused Ring Systems;API's; Miscellaneous Enzyme
Uses
Allopurinol (CAS NO.315-30-0) is a drug commonly used in treatment of hyperuricemia and chronic gout. Also used to prevent tumor lysis with certain types of cancer.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| man | TDLo | oral | 21429ug/kg/5D (21.429mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" BLOOD: THROMBOCYTOPENIA | Annals of the Rheumatic Diseases. Vol. 40, Pg. 245, 1981. |
| man | TDLo | oral | 120mg/kg/4W-I (120mg/kg) | BLOOD: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Clinical and Experimental Dermatology. Vol. 19, Pg. 243, 1994. |
| mouse | LD50 | intraperitoneal | 214mg/kg (214mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: FLUID INTAKE BEHAVIORAL: ATAXIA | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 108, 1968. |
| mouse | LD50 | oral | 78mg/kg (78mg/kg) | Pharmaceutical Chemistry Journal Vol. 7, Pg. 735, 1973. | |
| mouse | LD50 | subcutaneous | 298mg/kg (298mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 715, 1981. | |
| rabbit | LD | oral | > 100mg/kg (100mg/kg) | Pharmaceutical Chemistry Journal Vol. 7, Pg. 735, 1973. | |
| rat | LD | oral | > 500mg/kg (500mg/kg) | Pharmaceutical Chemistry Journal Vol. 7, Pg. 735, 1973. | |
| rat | LD50 | intraperitoneal | 900mg/kg (900mg/kg) | Advances in Teratology. Vol. 3, Pg. 181, 1968. | |
| rat | LD50 | subcutaneous | 2450mg/kg (2450mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 763, 1969. | |
| women | LDLo | oral | 88mg/kg/22D-I (88mg/kg) | BLOOD: LEUKOPENIA | Annals of the Rheumatic Diseases. Vol. 40, Pg. 245, 1981. |
| women | TDLo | oral | 42mg/kg/7D-I (42mg/kg) | KIDNEY, URETER, AND BLADDER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | American Journal of Medicine. Vol. 76, Pg. 47, 1984 |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Human poison by ingestion. Poison experimentally by intraperitoneal and subcutaneous routes. An experimental teratogen. Human systemic effects by ingestion: blood leukopenia, dermatitis, jaundice, muscle weakness, thrombocytopenia. When heated to decomposition it emits toxic fumes of NOx. An FDA proprietary drug used as a xanthine oxidase inhibitor.
Hazard Codes of Allopurinol (CAS NO.315-30-0): 
T,
Xi,
Xn
Risk Statements: 25-43-36/37/38-20/21/22
R25: Toxic if swallowed.
R43: May cause sensitization by skin contact.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-36/37-45-36/37/39-26-24-36
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S24: Avoid contact with skin.
S36: Wear suitable protective clothing.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 2
RTECS: UR0785000
HazardClass: 6.1
PackingGroup: III
Specification
Allopurinol , with CAS number of 315-30-0, can be called 4-Hydroxypyrazol[3,4-D]pyrimidine ; 1H-pyrazolo[3,4-d]pyrimidin-4-ol (IM OCS) ; 1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one ; 4-Hydroxypyrazolo(3,4-d)pyrimidine ; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol ; 4-Hydroxypyrazolopyrimidine . Allopurinol (CAS NO.315-30-0) is very slightly soluble in cold water. Insoluble in diethyl ether. It is very slightly soluble in alcohol.