Product Name

  • Name

    Allopurinol

  • EINECS 206-250-9
  • CAS No. 315-30-0
  • Article Data25
  • CAS DataBase
  • Density 1.702 g/cm3
  • Solubility 0.35 g/L (25 °C) in water
  • Melting Point >300 °C(lit.)
  • Formula C5H4N4O
  • Boiling Point 423.27 °C at 760 mmHg
  • Molecular Weight 136.113
  • Flash Point 209.787 °C
  • Transport Information UN 2811 6.1/PG 3
  • Appearance white to off-white solid
  • Safety 28-36/37-45-36/37/39-26-24-36
  • Risk Codes 25-43-36/37/38-20/21/22
  • Molecular Structure Molecular Structure of 315-30-0 (Allopurinol)
  • Hazard Symbols IrritantXi,ToxicT, HarmfulXn
  • 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;
  • PSA 74.43000
  • LogP -0.35380

Synthetic route

formic acid
64-18-6

formic acid

2-cyano-3-morpholinoacrylamide
25229-97-4

2-cyano-3-morpholinoacrylamide

formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

Conditions
ConditionsYield
Stage #1: 2-cyano-3-morpholinoacrylamide With hydrazine hydrate In water at 90 - 100℃;
Stage #2: formic acid; formamide at 100 - 170℃;		96%
...Expand
3-methylthio-4-hydroxypyrazolo<3,4-d>pyrimidine
90914-36-6

3-methylthio-4-hydroxypyrazolo<3,4-d>pyrimidine

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

Conditions
ConditionsYield
nickel In ethanol for 40h; Heating;66%
1-({[4-(morpholinomethyl)-benzoyl]oxy}methyl)allopurinol

1-({[4-(morpholinomethyl)-benzoyl]oxy}methyl)allopurinol

A

formaldehyd
50-00-0

formaldehyd

B

4-(morpholinomethyl)benzoic acid
62642-62-0

4-(morpholinomethyl)benzoic acid

C

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

Conditions
ConditionsYield
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;
...Expand
formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

3-amino-1H-pyrazole-4-carboxylic acid methyl ester
29097-00-5

3-amino-1H-pyrazole-4-carboxylic acid methyl ester

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

Conditions
ConditionsYield
at 155℃; for 11h; Temperature;
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

allopurinol sodium

allopurinol sodium

Conditions
ConditionsYield
With sodium hydroxide In water at 15 - 30℃; for 1h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;81.8%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

5-Iodo-4(3H)-oxo-7H-pyrazolo<3,4-d>pyrimidine
144750-83-4

5-Iodo-4(3H)-oxo-7H-pyrazolo<3,4-d>pyrimidine

Conditions
ConditionsYield
With N-iodo-succinimide In N,N-dimethyl-formamide at 110℃; for 18h;81%
2-bromo-4-chlorophenol
695-96-5

2-bromo-4-chlorophenol

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

4-chloro-2-[pyrazolo[3,4-d]pyrimidine-4-yloxy]phenol

4-chloro-2-[pyrazolo[3,4-d]pyrimidine-4-yloxy]phenol

Conditions
ConditionsYield
With caesium carbonate; copper(l) chloride In 1-methyl-pyrrolidin-2-one for 0.0833333h; Ullmann ether synthesis; microwave irradiation;80%
tris(triphenylphosphine)ruthenium(II) chloride
15529-49-4, 41756-81-4

tris(triphenylphosphine)ruthenium(II) chloride

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

C46H38Cl2N8O2P2Ru

C46H38Cl2N8O2P2Ru

Conditions
ConditionsYield
In methanol; dichloromethane for 4h; Schlenk technique; Reflux;80%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

4-chloro-1H-pyrazolo[3,4-d]pyrimidine
5399-92-8

4-chloro-1H-pyrazolo[3,4-d]pyrimidine

Conditions
ConditionsYield
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%
RuCl2(1,4-bis(diphenylphosphino)butane)(PPh3)
88496-72-4

RuCl2(1,4-bis(diphenylphosphino)butane)(PPh3)

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

C38H36Cl2N8O2P2Ru

C38H36Cl2N8O2P2Ru

Conditions
ConditionsYield
In methanol; dichloromethane at 20℃; for 0.5h; Schlenk technique;70%
2'-Deoxyguanosine
961-07-9

2'-Deoxyguanosine

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

8-aza-7-deaza-2'-deoxyinosine
95087-12-0

8-aza-7-deaza-2'-deoxyinosine

Conditions
ConditionsYield
With purine nucleoside phosphorylase at 50℃; pH=7; aq. phosphate buffer; Enzymatic reaction;68%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

1-bromo-2-(10β-dihydroartemisinoxy)ethane
101834-30-4

1-bromo-2-(10β-dihydroartemisinoxy)ethane

C39H56N4O11

C39H56N4O11

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2.5h;63.4%
D-2-deoxyribose
452-51-7, 13046-70-3, 29780-54-9, 36792-87-7, 36792-88-8, 113890-35-0, 113890-38-3

D-2-deoxyribose

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

8-aza-7-deaza-2'-deoxyinosine
95087-12-0

8-aza-7-deaza-2'-deoxyinosine

Conditions
ConditionsYield
With purine nucleoside phosphorylase; phosphopentomutase; ribokinase; potassium chloride; ATP; manganese(ll) chloride at 40℃; for 10h; pH=7.5; aq. buffer; Enzymatic reaction; regiospecific reaction;60%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

4-(3-trifluoromethylanilino)-1H-pyrazolo<3,4-d>pyrimidine

4-(3-trifluoromethylanilino)-1H-pyrazolo<3,4-d>pyrimidine

Conditions
ConditionsYield
With phosphorus pentoxide; triethylamine hydrochloride at 200℃; for 24h;59%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

4-chloro-3-trifluoromethyl-aniline
320-51-4

4-chloro-3-trifluoromethyl-aniline

(4-Chloro-3-trifluoromethyl-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

(4-Chloro-3-trifluoromethyl-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

Conditions
ConditionsYield
With phosphorus pentoxide; triethylamine hydrochloride at 200℃; for 3h;56%
3-chloro-aniline
108-42-9

3-chloro-aniline

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

(3-Chloro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

(3-Chloro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

Conditions
ConditionsYield
With phosphorus pentoxide; triethylamine hydrochloride at 200℃; for 3h;50%
3,5-dimethylaminoaniline
108-69-0

3,5-dimethylaminoaniline

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

(3,5-Dimethyl-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

(3,5-Dimethyl-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

Conditions
ConditionsYield
With phosphorus pentoxide; triethylamine hydrochloride at 150℃; for 3h;48%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

1-bromo-2-(10β-dihydroartemisinoxy)ethane
101834-30-4

1-bromo-2-(10β-dihydroartemisinoxy)ethane

C22H30N4O6

C22H30N4O6

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2.5h;35.2%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

4-fluoroaniline
371-40-4

4-fluoroaniline

(4-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

(4-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine

Conditions
ConditionsYield
With phosphorus pentoxide; triethylamine hydrochloride at 150℃; for 3h;31%
(2S,3R,4R,5S)-2-[N-benzyl-N-(p-toluenesulfonyl)]aminomethyl 3,4-dibenzyloxy-5-(p-toluenesulfonyl)methyl-1-N-(p-toluenesulfonyl)pyrrolidine

(2S,3R,4R,5S)-2-[N-benzyl-N-(p-toluenesulfonyl)]aminomethyl 3,4-dibenzyloxy-5-(p-toluenesulfonyl)methyl-1-N-(p-toluenesulfonyl)pyrrolidine

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

A

(2S,3R,4R,5S)-2-N-[benzyl-N-(p-toluenesulfonyl)]aminomethyl-3,4-bis(benzyloxy)-5-(N8-allopurinol)-1-N-(ptoluenesulfonyl)pyrrolidine

(2S,3R,4R,5S)-2-N-[benzyl-N-(p-toluenesulfonyl)]aminomethyl-3,4-bis(benzyloxy)-5-(N8-allopurinol)-1-N-(ptoluenesulfonyl)pyrrolidine

B

(2S,3R,4R,5S)-2-N-[benzyl-N-(p-toluenesulfonyl)]aminomethyl-3,4-bis(benzyloxy)-5-(N9-allopurinol)-1-N-(p-toluenesulfonyl)pyrrolidine

(2S,3R,4R,5S)-2-N-[benzyl-N-(p-toluenesulfonyl)]aminomethyl-3,4-bis(benzyloxy)-5-(N9-allopurinol)-1-N-(p-toluenesulfonyl)pyrrolidine

C

(2S,3R,4R,5S)-2-N-[benzyl-N-(p-toluenesulfonyl)]aminomethyl-3,4-bis(benzyloxy)-5-(N-2-allopurinol)-1-N-(p-toluenesulfonyl)pyrrolidine

(2S,3R,4R,5S)-2-N-[benzyl-N-(p-toluenesulfonyl)]aminomethyl-3,4-bis(benzyloxy)-5-(N-2-allopurinol)-1-N-(p-toluenesulfonyl)pyrrolidine

Conditions
ConditionsYield
With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide at 85℃; for 8h;A 31%
B n/a
C n/a
...Expand
4-chloro-aniline
106-47-8

4-chloro-aniline

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

ETP-45852

ETP-45852

Conditions
ConditionsYield
With phosphorus pentoxide; triethylamine hydrochloride at 200℃; for 2.5h;26%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

uridine
58-96-8

uridine

1-β-D-ribofuranosyl-1H-pyrazolo<3,4-d>pyrimidin-4-one
16220-07-8

1-β-D-ribofuranosyl-1H-pyrazolo<3,4-d>pyrimidin-4-one

Conditions
ConditionsYield
With dipotassium hydrogenphosphate at 36℃; for 144h; pH 7.2, purine nucleoside phosphorylase, uridine phosphorylase;24%
aniline
62-53-3

aniline

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
99973-41-8

N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions
ConditionsYield
With phosphorus pentoxide; triethylamine hydrochloride at 150℃; for 1.5h;21%
farnesyl bromide
24163-93-7, 24163-94-8, 28290-41-7, 56881-57-3, 6874-67-5

farnesyl bromide

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

A

1,5-bis((6E)‐3,7,11‐trimethyldodeca‐2,6,10‐trien‐1‐yl)‐1,5‐dihydro‐4H-pyrazolo[3,4‐d]pyrimidin‐4‐one

1,5-bis((6E)‐3,7,11‐trimethyldodeca‐2,6,10‐trien‐1‐yl)‐1,5‐dihydro‐4H-pyrazolo[3,4‐d]pyrimidin‐4‐one

B

2,7‐bis((6E)-3,7,11‐trimethyldodeca‐2,6,10‐trien‐1‐yl)‐2,7‐dihydro‐4H-pyrazolo[3,4‐d]pyrimidin‐4‐one

2,7‐bis((6E)-3,7,11‐trimethyldodeca‐2,6,10‐trien‐1‐yl)‐2,7‐dihydro‐4H-pyrazolo[3,4‐d]pyrimidin‐4‐one

C

5‐((2E,6E)-3,7,11‐trimethyldodeca‐2,6,10‐trien‐1‐yl)‐5H-pyrazolo[3,4‐d]pyrimidin‐4‐ol

5‐((2E,6E)-3,7,11‐trimethyldodeca‐2,6,10‐trien‐1‐yl)‐5H-pyrazolo[3,4‐d]pyrimidin‐4‐ol

Conditions
ConditionsYield
Stage #1: 4-hydroxypyrazolo(3,4-d)pyrimidine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere;
Stage #2: farnesyl bromide In N,N-dimethyl-formamide at 70℃; for 27h; Inert atmosphere;		A 12%
B 4%
C 21%
...Expand
C10H10Cl4N2O2

C10H10Cl4N2O2

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

2-(pyridin-2-yl)ethyl N-(2,2,2-trichloro-1-(4-hydroxy-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)carbamate

2-(pyridin-2-yl)ethyl N-(2,2,2-trichloro-1-(4-hydroxy-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)carbamate

Conditions
ConditionsYield
In dichloromethane; acetonitrile at 20 - 60℃; Inert atmosphere;7.22%
trans-geranyl bromide
6138-90-5

trans-geranyl bromide

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

(E)-5‐(3,7‐dimethylocta‐2,6‐dien‐1‐yl)‐5H-pyrazolo[3,4‐d]pyrimidin‐4‐ol

(E)-5‐(3,7‐dimethylocta‐2,6‐dien‐1‐yl)‐5H-pyrazolo[3,4‐d]pyrimidin‐4‐ol

Conditions
ConditionsYield
Stage #1: 4-hydroxypyrazolo(3,4-d)pyrimidine With sodium carbonate; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere;
Stage #2: trans-geranyl bromide In N,N-dimethyl-formamide for 24h; Inert atmosphere;		2%
2E,6E,10E-geranylgeranyl bromide
50848-64-1

2E,6E,10E-geranylgeranyl bromide

4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

1,5‐bis((2E,6E,10E)-3,7,11,15‐tetramethylhexadeca‐2,6,10,14‐tetraen‐1‐yl)‐1,5‐dihydro‐4H-pyrazolo[3,4‐d]pyrimidin‐4‐one

1,5‐bis((2E,6E,10E)-3,7,11,15‐tetramethylhexadeca‐2,6,10,14‐tetraen‐1‐yl)‐1,5‐dihydro‐4H-pyrazolo[3,4‐d]pyrimidin‐4‐one

Conditions
ConditionsYield
Stage #1: 4-hydroxypyrazolo(3,4-d)pyrimidine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere;
Stage #2: 2E,6E,10E-geranylgeranyl bromide In N,N-dimethyl-formamide for 27h; Inert atmosphere;		2%
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

oxypurinol
2465-59-0

oxypurinol

Conditions
ConditionsYield
With ethylenediaminetetraacetic acid at 25℃; Mechanism; presence of xanthine-oxidase, pH=8; inhibition of xanthine-oxidase;
With sodium hydroxide; air; Mo(VI)-xanthine oxidase In phosphate buffer pH=7.5; Irradiation;
With bovine xanthine oxidase at 25℃; for 0.0833333h; pH=7.8; aq. buffer; Enzymatic reaction;
4-hydroxypyrazolo(3,4-d)pyrimidine
315-30-0

4-hydroxypyrazolo(3,4-d)pyrimidine

methanesulfonic acid 2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-ylmethyl ester

methanesulfonic acid 2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-ylmethyl ester

(7RS,9aRS)-2-furan-2-yl-5-[7-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxymethyl)octahydropyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

(7RS,9aRS)-2-furan-2-yl-5-[7-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxymethyl)octahydropyrido[1,2-a]pyrazin-2-yl][1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine

Conditions
ConditionsYield
Stage #1: 4-hydroxypyrazolo(3,4-d)pyrimidine With sodium hydride In N,N-dimethyl-formamide at 50℃; for 2h;
Stage #2: methanesulfonic acid 2-(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-octahydro-pyrido[1,2-a]pyrazin-7-ylmethyl ester In N,N-dimethyl-formamide at 100℃; for 24h;

Allopurinol Chemical Properties

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

Allopurinol 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.

Allopurinol 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

Allopurinol Consensus Reports

Reported in EPA TSCA Inventory.

Allopurinol 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): ToxicT,IrritantXi,HarmfulXn
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

Allopurinol 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.

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