4-Hydroxypyrazolo[3,4-d]pyrimidine (CAS 315-30-0) — formula C5H4N4O, molecular weight 136.11; category organic chemicals.
Documented applications: Uses: MEDICATION, MEDICATION (Vet):, THERAPEUTIC CATEGORY: Treatment of hyperuricemia and chronic gout, antiurolithic., Use (kg) in Switzerland (2009): >5000, Use (kg, approx.) in Germany (2009): >100000, Use (kg) in USA (2002): 59900, Use (kg) in France (2004): 54247, Consumption (g per capita) in Switzerland (2009): 0.64, Consumption (g per capita, approx.) in Germany (2009): 1.2, Consumption (g per capita) in the USA (2002): 0.21, Consumption (g per capita) in France (2004): 0.9, Excretion rate: 0.28, Calculated removal (%): 75.1, For the treatment of hyperuricemia associated with primary or secondary gout. Also indicated for the treatment of primary or secondary uric acid nephropathy, with or without the symptoms of gout, as well as chemotherapy-induced hyperuricemia and recurrent renal calculi., Methods of Manufacturing: Reaction of malononitrile and triethyl orthoformate to form ethoxymethylene malononitrile which is reacted with hydrazine, hydrolyzed, and condensed with formamide., (Ethoxymethylene)malononitrile is reacted with hydrazine hydrate via deethanolation and addition thus cyclizing to form 3-aminopyrazole-4-carbonitrile. Controlled hydration of nitrile forms the corresponding carboxamide which, on condensation with formamide, yields allopurinol., Formulations, Preparations: Allopurinol Preparations: (AHFS, 2009), Table: Allopurinol Preparations: (AHFS, 2009) [Table#4346], Oral Tablets, 100 mg, Lopurin (scored), Boots, Zyloprim (with povidone, scored), Burroughs Wellcome, 300 mg, Burroughs Wellcome., Tablets, 100 and 300 mg, Consumption Patterns: Essentially 100% as a uricosuric agent, U.S. Production: (1977) Probably > 4.54 x 10+5 g, (1978) Probably > 4.54 x 10+5 g, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4347], [US EPA, Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). 4H-Pyrazolo, General Manufacturing Information: 4H-Pyrazolo[3, 4-d]pyrimidin-4-one, 1, 5-dihydro-: ACTIVE.
4-Hydroxypyrazolo[3,4-d]pyrimidine is a carbon-based organic compound with CAS registry number 315-30-0 and molecular formula C5H4N4O (molecular weight 136.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 315-30-0
Its molecular formula C5H4N4O comprises 5 C, 4 H, 4 N, 1 O atoms.
Also known as: 4-Hydroxypyrazolo[3,4-d]pyrimidine · Allopurinol
Category: organic chemicals
The CAS registry number of 4-Hydroxypyrazolo[3,4-d]pyrimidine is 315-30-0.
Molecular formula C5H4N4O, molecular weight 136.11.
It is also registered under: 4-Hydroxypyrazolo[3,4-d]pyrimidine, Allopurinol.
Recorded applications: Uses: MEDICATION, MEDICATION (Vet):, THERAPEUTIC CATEGORY: Treatment of hyperuricemia and chronic gout, antiurolithic., Use (kg) in Switzerland (2009): >5000, Use (kg, approx.) in Germany (2009): >100000, Use (kg) in USA (2002): 59900, Use (kg) in France (2004): 54247, Consumption (g per capita) in Switzerland (2009): 0.64, Consumption (g per capita, approx.) in Germany (2009): 1.2, Consumption (g per capita) in the USA (2002): 0.21, Consumption (g per capita) in France (2004): 0.9, Excretion rate: 0.28, Calculated removal (%): 75.1, For the treatment of hyperuricemia associated with primary or secondary gout. Also indicated for the treatment of primary or secondary uric acid nephropathy, with or without the symptoms of gout, as well as chemotherapy-induced hyperuricemia and recurrent renal calculi., Methods of Manufacturing: Reaction of malononitrile and triethyl orthoformate to form ethoxymethylene malononitrile which is reacted with hydrazine, hydrolyzed, and condensed with formamide., (Ethoxymethylene)malononitrile is reacted with hydrazine hydrate via deethanolation and addition thus cyclizing to form 3-aminopyrazole-4-carbonitrile. Controlled hydration of nitrile forms the corresponding carboxamide which, on condensation with formamide, yields allopurinol., Formulations, Preparations: Allopurinol Preparations: (AHFS, 2009), Table: Allopurinol Preparations: (AHFS, 2009) [Table#4346], Oral Tablets, 100 mg, Lopurin (scored), Boots, Zyloprim (with povidone, scored), Burroughs Wellcome, 300 mg, Burroughs Wellcome., Tablets, 100 and 300 mg, Consumption Patterns: Essentially 100% as a uricosuric agent, U.S. Production: (1977) Probably > 4.54 x 10+5 g, (1978) Probably > 4.54 x 10+5 g, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4347], [US EPA, Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). 4H-Pyrazolo, General Manufacturing Information: 4H-Pyrazolo[3, 4-d]pyrimidin-4-one, 1, 5-dihydro-: ACTIVE.
Category: Organic Chemicals.
Public-database records for 4-Hydroxypyrazolo[3,4-d]pyrimidine (CAS 315-30-0), reproduced here for independent cross-checking.
| Reported hazard statements | H301 (53.1%), H317 (94.4%) |
|---|
H301 (53.1%): Toxic if swallowed [Danger Acute toxicity, oral]
H317 (94.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| 沸点 | 250.36 |
|---|---|
| 熔点 | >300 |
| 熔点 | 350 °C |
| 溶解度 | In water, 569 mg/L at 25 °C |
| 溶解度 | 5.88e+00 g/L |
| LogP | -1.8 |
| LogP | log Kow = -0.55 |
| LogP | -1 |
| LogP | -0.55 |
| Dissociation Constants | 10.2 (at 25℃) |
| CAS Registry Number | 315-30-0 |
|---|---|
| PubChem CID | 135401907 |
| 分子式 | C5H4N4O |
| IUPAC 名称 | 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one |
| UNII（FDA） | 63CZ7GJN5I |
allopurinol; 315-30-0; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol; Zyloric; Suspendol; Takanarumin; Allopur; Bloxanth; Uriprim; Xanturat; Urbol; Ketobun-A; Nektrohan; Adenock; Aluline; Dabrosin
| 分子量 | 136.11 |
|---|---|
| XLogP3 | -0.7 |
| 氢键供体数 | 2 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 136.03851076 |
| 单同位素质量 | 136.03851076 |
| 拓扑极性表面积 | 70.1 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
4-Hydroxypyrazolo[3,4-d]pyrimidine · CAS 315-30-0 · C5H4N4O. UNII 63CZ7GJN5I. 沸点: 250.36; 熔点: >300; 熔点: 350 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.