Basic information
- CAS
4985-25-5- Standard SMILES
C1CNCCN1.CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O- InChIKey
HWGAOXKGTHUMFZ-UHFFFAOYSA-N- Molecular formula
- C23H30N4O2
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.23687621
Overview
antipyrene derivative which has anti-inflammatory properties; minor descriptor (75-86); on-line & INDEX MEDICUS search PHENYLBUTAZONE/AA (75-86); RN given refers to phenylbutazone compounded with piperazine
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, compd. with piperazine (1:1)
- IUPAC
- 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;piperazine
- English name
- 4-butyl-1,2-diphenylpyrazolidine-3,5-dione, compound with piperazine (1:1)
- Molecular formula
- C23H30N4O2
- Molecular weight
- 394.5099
Names & synonyms
PyrazinobutazonePyrasanone4985-25-5DTXSID601981190J1026H8UB4-butyl-1,2-diphenyl-3,5-pyrazolidinedione cpd with piperazinepyrazinobutazonDB-139RefChem:177454DTXCID40120610Carudolphenylbutazone piperazine
Show more names
DB139PHENYLBUTAZONEPIPERAZIUMPHENYLBUTAZONEPIPERAZINE4-butyl-1,2-di(phenyl)pyrazolidine-3,5-quinone4-butyl-1,2-diphenylpyrazolidine-3,5-dione,piperazine
4-Butyl-1,2-diphenylpyrazolidine-3,5-dione, compound with piperazine (1:1)Ranoroc4-butyl-1,2-diphenylpyrazolidine-3,5-dione;piperazine4-butyl-1,2-diphenylpyrazolidine-3,5-dione, compound with piperazine (1EINECS 225-639-4DB 139UNII-0J1026H8UB1,2-Diphenyl-3,5-dioxo-4-n-butylpyrrazolidine de piperazine [French]
Database identifiers
- CAS
4985-25-5- PubChem CID
- 78682
- DTXSID
DTXSID60198119
Properties
Computed structural properties
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Melting point
- 180 °C · 180 °C (decomp)
- FDA UNII
- 0 J1026H8UB · 0J1026H8UB
Chemistry & industry
Applications
UsesPyrazinobutazone (Phenylbutazone piperazium) is an antipyrene derivative that possesses anti-inflammatory properties and has been associated with hypersensitivity reactions leading to agranulocytosis and liver injury.
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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