Irgapyrin
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: Irgapyrin|Wofapyrin|Irgapyrine|Pabialgin|Rheopyrine|Phenylbutazone / propyphenazone|Phenylbutazone mixture with propyphenazone|3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, mixed with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one|3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, mixt. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one|4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one|4-(Dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--4-butyl-1,2-diphenylpyrazolidine-3,5-dione (1/1)|4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C32H37N5O3 |
|---|---|
| Molecular Weight | 539.2896 g/mol |
| LogP | 5.33822 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.2896 |
| Monoisotopic Mass | 539.2896 |
| Heavy Atoms | 40 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 8064-79-7 |
|---|---|
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C |
| InChIKey | FQUTYCCWVYCBGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Irgapyrin (CAS 8064-79-7), with molecular formula C32H37N5O3 and molecular weight 539.2896 g/mol. IUPAC: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
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