Dipyrone
CAS Number: 5907-38-0
Molecular Mass: 351.36 g/mol
Formula: C13H18N3NaO5S
Smiles: Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+]
Synonymes:
Dipyrone, sulpyrine, RefChem:932401, 5907-38-0, Metamizole sodium hydrate, Dipyron hydrate, Dipyrone monohydrate, Metamizol monohydrate, Novaldin, Dipyrone hydrate, Metamizole Sodium Monohydrate, Dipyrone sodium hydrate, Sulpyrine hydrate, Dipyron monohydrate, Methampyrone, Diprofarn, Metamizol Sodium Monohydrate, Dipyrone (USAN), Dipyrone [USAN], NSC-73205, 6429L0L52Y, NSC-758445, Methanesulfonic acid,[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt, monohydrate, Sodium (antipyrinylmethylamino)methanesulfonate monohydrate, Sodium ((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino)methanesulfonate hydrate, Methanesulfonic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)-, sodium salt, monohydrate, Dipyrone [USAN:BAN], Dipyronhydrat, CCRIS 272, UNII-6429L0L52Y, Metamizol de sodio, [(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))methylamino]methanesulfonic ac id, sodium salt, hydrate, Metamizol,Methapyrone, NSC 73205, Metamizole sodium CRS, DIPYRONE [MI], Metamizole sodium hydrate?, Metamizole Sodium(Analgin), Sulpyrine hydrate (JP18), C13H18N3NaO5S, SCHEMBL24995, MSK7131B, orb1309459, SULPYRINE HYDRATE [JAN], CHEMBL3989803, CHEBI:32169, HY-B1279R, DTXSID10110043, metamizole sodium salt monohydrate, UNZIDPIPYUMVPA-UHFFFAOYSA-M, HMS5086P08, HY-B1279, (Antipyrinylmethylamino)methanesulfonic acid sodium salt monohydrate, EBC-80025, MFCD00150293, SBB056992, AKOS015918129, Methanesulfonic acid, (antipyrinylmethylamino)-, sodium salt, monohydrate, CS-5327, FD32744, Metamizole (sodium hydrate) (Standard), sodium, [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate, hydrate, AS-13510, DB-053316, ST50993890, METAMIZOLE SODIUM MONOHYDRATE [WHO-DD], D01762, F85335, Metamizole Sodium(Analgin) Direct Compacted 90, METAMIZOLE SODIUM MONOHYDRATE [EP MONOGRAPH], Q27114806, Dipyron monohydrate, VETRANAL(TM), analytical standard, Metamizol sodium monohydrate 1000 microg/mL in Acetonitrile, SODIUM (ANTIPYRINYLMETHYLAMINO)METHANESULPHONATE MONOHYDRATE, Metamizole Sodium Monohydrate 1.0 mg/ml in Dimethyl Sulfoxide (as anhydrous free acid), sodium, [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate, hydrate, ((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)METHANESULFONIC ACID SODIUM SALT MONOHYDRATE, Sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate--water (1/1/1)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 293.15 | - | 1.2 | [210] |
| 1-Butanol | 298.15 | - | 1.5 | [210] |
| 1-Butanol | 303.05 | - | 1.9 | [210] |
| 1-Butanol | 308.05 | - | 2.7 | [210] |
| 1-Butanol | 313.05 | - | 3.4 | [210] |
| 1-Butanol | 318.05 | - | 4.5 | [210] |
| 1-Butanol | 323.05 | - | 5.6 | [210] |
| 1-Butanol | 327.95 | - | 7.07 | [210] |
| 1-Butanol | 332.85 | - | 8.89 | [210] |
| 1-Propanol | 293.15 | - | 5.17 | [210] |
| 1-Propanol | 298.15 | - | 6.09 | [210] |
| 1-Propanol | 303.05 | - | 7.45 | [210] |
| 1-Propanol | 308.05 | - | 8.81 | [210] |
| 1-Propanol | 313.05 | - | 10.6 | [210] |
| 1-Propanol | 318.05 | - | 12.9 | [210] |
| 1-Propanol | 323.05 | - | 15.5 | [210] |
| 1-Propanol | 327.95 | - | 18.0 | [210] |
| 1-Propanol | 332.85 | - | 21.29 | [210] |
| 2-Butanol | 293.15 | - | 0.76 | [210] |
| 2-Butanol | 298.15 | - | 1.1 | [210] |
| 2-Butanol | 303.05 | - | 1.5 | [210] |
| 2-Butanol | 308.05 | - | 2.3 | [210] |
| 2-Butanol | 313.05 | - | 2.6 | [210] |
| 2-Butanol | 318.05 | - | 3.7 | [210] |
| 2-Butanol | 323.05 | - | 4.82 | [210] |
| 2-Butanol | 327.95 | - | 5.9 | [210] |
| 2-Butanol | 332.85 | - | 7.7 | [210] |
| Acetone | 293.15 | - | 0.48 | [210] |
| Acetone | 298.15 | - | 0.47 | [210] |
| Acetone | 303.05 | - | 0.94 | [210] |
| Acetone | 308.05 | - | 0.94 | [210] |
| Acetone | 313.05 | - | 1.4 | [210] |
| Acetone | 318.05 | - | 1.4 | [210] |
| Acetone | 323.05 | - | 1.8 | [210] |
| Acetone | 327.95 | - | 2.3 | [210] |
| Acetone | 332.85 | - | 2.7 | [210] |
| Ethanol | 293.15 | - | 19.3 | [210] |
| Ethanol | 298.15 | - | 22.2 | [210] |
| Ethanol | 303.05 | - | 25.1 | [210] |
| Ethanol | 308.05 | - | 29.2 | [210] |
| Ethanol | 313.05 | - | 33.2 | [210] |
| Ethanol | 318.05 | - | 37.7 | [210] |
| Ethanol | 323.05 | - | 42.8 | [210] |
| Ethanol | 327.95 | - | 47.87 | [210] |
| Ethanol | 332.85 | - | 53.5 | [210] |
| Ethyl acetate | 293.15 | - | 0.36 | [210] |
| Ethyl acetate | 298.15 | - | 0.36 | [210] |
| Ethyl acetate | 303.05 | - | 0.35 | [210] |
| Ethyl acetate | 308.05 | - | 0.7 | [210] |
| Ethyl acetate | 313.05 | - | 0.7 | [210] |
| Ethyl acetate | 318.05 | - | 1.0 | [210] |
| Ethyl acetate | 323.05 | - | 1.0 | [210] |
| Ethyl acetate | 327.95 | - | 1.4 | [210] |
| Ethyl acetate | 332.85 | - | 1.7 | [210] |
| Isopropanol | 293.15 | - | 1.4 | [210] |
| Isopropanol | 298.15 | - | 1.8 | [210] |
| Isopropanol | 303.05 | - | 2.3 | [210] |
| Isopropanol | 308.05 | - | 2.7 | [210] |
| Isopropanol | 313.05 | - | 3.6 | [210] |
| Isopropanol | 318.05 | - | 4.0 | [210] |
| Isopropanol | 323.05 | - | 4.89 | [210] |
| Isopropanol | 327.95 | - | 6.19 | [210] |
| Isopropanol | 332.85 | - | 7.04 | [210] |
| Methanol | 293.15 | - | 248.0 | [210] |
| Methanol | 298.15 | - | 283.2 | [210] |
| Methanol | 303.05 | - | 322.9 | [210] |
| Methanol | 308.05 | - | 362.4 | [210] |
| Methanol | 313.05 | - | 422.3 | [210] |
| Methanol | 318.05 | - | 462.6 | [210] |
| Methanol | 323.05 | - | 515.0 | [210] |
| Methanol | 327.95 | - | 562.7 | [210] |
| Methanol | 332.85 | - | 610.4 | [210] |
| Methyl acetate | 293.15 | - | 0.44 | [210] |
| Methyl acetate | 298.15 | - | 0.44 | [210] |
| Methyl acetate | 303.05 | - | 0.44 | [210] |
| Methyl acetate | 308.05 | - | 0.43 | [210] |
| Methyl acetate | 313.05 | - | 0.86 | [210] |
| Methyl acetate | 318.05 | - | 0.86 | [210] |
| Methyl acetate | 323.05 | - | 1.3 | [210] |
| Methyl acetate | 327.95 | - | 1.7 | [210] |
| Methyl acetate | 332.85 | - | 2.1 | [210] |
| Water | 293.15 | - | 1107.0 | [210] |
| Water | 298.15 | - | 1189.0 | [210] |
| Water | 303.05 | - | 1273.0 | [210] |
| Water | 308.05 | - | 1361.2 | [210] |
| Water | 313.05 | - | 1450.0 | [210] |
| Water | 318.05 | - | 1539.0 | [210] |
| Water | 323.05 | - | 1635.0 | [210] |
| Water | 327.95 | - | 1729.0 | [210] |
| Water | 332.85 | - | 1830.0 | [210] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 735.4574 |
| PMI2 | 3726.7596 |
| PMI3 | 4037.6214 |
| NPR1 | 0.1822 |
| NPR2 | 0.9230 |
| RadiusOfGyration | 3.4779 |
| InertialShapeFactor | 0.0013 |
| Eccentricity | 0.9833 |
| Asphericity | 0.5522 |
| SpherocityIndex | 0.1787 |
| PBF | 0.7200 |