4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro- (9CI) (CAS 73334-58-4) — formula C5H4N4O, molecular weight 136.11; category organic chemicals.
| CAS Number | 73334-58-4 |
|---|---|
| Molecular Formula | C5H4N4O |
| Molecular Weight | 136.11 |
| Melting Point | >300 |
| Boiling Point | 250.36 |
| LogP | -1.8 |
| 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 |
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.
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro- (9CI) is a carbon-based organic compound with CAS registry number 73334-58-4 and molecular formula C5H4N4O (molecular weight 136.11), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 73334-58-4
Its molecular formula C5H4N4O comprises 5 C, 4 H, 4 N, 1 O atoms.
Also known as: 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro- (9CI) · 4H-吡唑并[3,4-d]嘧啶-4-酮,1,2-二氢-(9CI)
Category: organic chemicals
The CAS registry number of 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro- (9CI) is 73334-58-4.
Molecular formula C5H4N4O, molecular weight 136.11.
It is also registered under: 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro- (9CI), 4H-吡唑并[3,4-d]嘧啶-4-酮,1,2-二氢-(9CI).
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.
Independent reference data for 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro- (9CI) (CAS 73334-58-4), compiled from public chemistry databases.
| CAS 号 | 73334-58-4 |
|---|---|
| PubChem CID | 135401907 |
| 分子式 | C5H4N4O |
| IUPAC 名称 | 1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one |
| UNII（FDA） | 63CZ7GJN5I |
| Molecular Weight | 136.11 |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.03851076 |
| Monoisotopic Mass | 136.03851076 |
| Topological Polar Surface Area | 70.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 250.36 |
|---|---|
| Melting Point | >300 |
| Melting Point | 350 °C |
| Solubility | In water, 569 mg/L at 25 °C |
| Solubility | 5.88e+00 g/L |
| LogP | -1.8 |
| LogP | log Kow = -0.55 |
| LogP | -1 |
| LogP | -0.55 |
| Dissociation Constants | 10.2 (at 25℃) |
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
| 已通报的危害声明 | H301 (53.1%), H317 (94.4%) |
|---|
4H-吡唑并[3,4-d]嘧啶-4-酮,1,2-二氢-(9CI) · CAS 73334-58-4 · C5H4N4O. UNII 63CZ7GJN5I. Boiling Point: 250.36; Melting Point: >300; Melting Point: 350 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.