Deferiprone
CAS Number: 30652-11-0
Molecular Mass: 139.15 g/mol
Formula: C7H9NO2
Smiles: Cc1c(O)c(=O)ccn1C
Synonymes:
Deferiprone, deferiprone, 30652-11-0, 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone, Ferriprox, 3-hydroxy-1,2-dimethylpyridin-4(1H)-one, CP20, 1,2-Dimethyl-3-hydroxypyrid-4-one, 4(1H)-Pyridinone, 3-hydroxy-1,2-dimethyl-, 3-hydroxy-1,2-dimethylpyridin-4-one, APO-66, Deferiprona, Deferipron, APO-066, DN-180-01-AF, 1,2-Dimethyl-3-hydroxy-4(1H)-pyridinone, DTXSID6040666, CP-20, DN-18001AF, 2BTY8KH53L, NSC-758880, CHEBI:68554, 4(1H)-Pyridinone, 1,2-dimethyl-3-hydroxy-, 1,2-dimethyl-3-hydroxy-4-pyridinone, 3-Hydroxy-1,2-dimethyl-4-pyridinone, 4(1H)-Pyridone, 3-hydroxy-1,2-dimethyl-, DTXCID4020666, DMOHPO, HDMPP, Deferipronum, 1,2 Dimethyl 3 hydroxypyrid 4 one, 1,2-dimethyl-3-hydroxypyridin-4-one, 1,2 Dimethyl 3 hydroxy 4 pyridinone, 1,2 Dimethyl 3 hydroxypyridin 4 one, 3 Hydroxy 1,2 dimethyl 4 pyridinone, RefChem:57612, V03AC02, 629-275-0, 3-hydroxy-1,2-dimethyl-4(1H)-pyridinone, MFCD00134497, Deferiprone (INN), PL-1, L1, MLS000069481, 1,2-dimethyl-3-hydroxy-4-pyridone, HK-1, PL1, 3-hydroxy-1,2-dimethyl-pyridin-4-one, SMR000059136, DEFERIPRONE [INN], L-1, 1,2-Dimethyl-3-hydroxypyridine-4-one, CP20 (Chelating agent), Ferriprox (TN), 3-hydroxy-1,2-dimethylhydropyridin-4-one, UNII-2BTY8KH53L, BRN 1447108, Deferum, Deferiprone [USAN:INN:BAN], CCRIS 8318, Deferiprone CRS, Deferiprone (Standard), Opera_ID_366, DEFERIPRONE [MI], Deferiprone (USAN/INN), DEFERIPRONE [USAN], DEFERIPRONE [VANDF], DEFERIPRONE [MART.], SCHEMBL94474, DEFERIPRONE [WHO-DD], 3-hydroxy-1,2-dimethyl-1,4-dihydropyridin-4-one, MLS000758227, MLS001424029, MLS006011689, CHEMBL70927, DEFERIPRONE [EMA EPAR], CRMD-001, GTPL7456, orb1308158, HSDB 8335, HY-B0568R, TZXKOCQBRNJULO-UHFFFAOYSA-, DEFERIPRONE [ORANGE BOOK], EX-A972, CP020, DEFERIPRONE [EP MONOGRAPH], HMS2051C05, HMS2232E24, HMS3264P17, HMS3393C05, HMS3873L13, Pharmakon1600-01504512, HY-B0568, 3-hydroxy-1,2-dimethylpyrid-4-one, Tox21_112429, BBL036482, BDBM50525976, CGP-37391, EBC-04014, NSC758880, s4067, SBB006753, STL559018, 1,2-dimetyl-3-hydroxy-4-pyridinone, AKOS015902286, CCG-100760, CS-5240, DB08826, DS-5493, FD20884, NC00010, NSC 758880, 3-hydroxy-1,2-dimethyl-4- pyridinone, NCGC00090548-01, NCGC00090548-02, NCGC00090548-04, NCGC00090548-05, AC-33026, BP-12415, ST093416, SY052576, SBI-0207041.P001, CAS-30652-11-0, DB-047826, H0944, NS00005705, D07416, 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone, 98%, AB00572605_11, AB00572605_12, EN300-1718313, F239607, Q749664, SR-01000721891, 3-hydroxy-1,2-dimethylpyridin-4(1H)-one [M+H]+, Deferiprone 1,2-DIMETHYL-3-HYDROXY-4-PYRIDONE, SR-01000721891-4, BRD-K06878038-001-17-8, BRD-K06878038-001-18-6, Z1255390865, InChI=1/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetonitrile | 283.1 | - | 0.5038 | [191] |
| Acetonitrile | 293.1 | - | 0.8603 | [191] |
| Acetonitrile | 303.1 | - | 1.567 | [191] |
| Acetonitrile | 313.1 | - | 2.346 | [191] |
| Acetonitrile | 323.1 | - | 3.498 | [191] |
| Ethanol | 298.2 | - | 3.32 | [190] |
| Ethyl acetate | 283.1 | - | 0.09762 | [191] |
| Ethyl acetate | 293.1 | - | 0.1477 | [191] |
| Ethyl acetate | 303.1 | - | 0.2177 | [191] |
| Ethyl acetate | 313.1 | - | 0.3018 | [191] |
| Ethyl acetate | 323.1 | - | 0.4334 | [191] |
| Ethylene Glycol | 298.2 | - | 18.47 | [190] |
| Methanol | 283.1 | - | 6.766 | [191] |
| Methanol | 293.1 | - | 11.99 | [191] |
| Methanol | 303.1 | - | 17.74 | [191] |
| Methanol | 313.1 | - | 26.18 | [191] |
| Methanol | 323.1 | - | 38.06 | [191] |
| N-Methyl-2-pyrrolidone | 298.2 | - | 2.9 | [190] |
| Propylene Glycol | 298.2 | - | 10.69 | [190] |
| Water | 283.1 | - | 14.27 | [191] |
| Water | 293.1 | - | 17.52 | [191] |
| Water | 303.1 | - | 23.87 | [191] |
| Water | 313.1 | - | 31.77 | [191] |
| Water | 323.1 | - | 40.72 | [191] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 248.0695 |
| PMI2 | 395.5321 |
| PMI3 | 637.1927 |
| NPR1 | 0.3893 |
| NPR2 | 0.6207 |
| RadiusOfGyration | 2.1452 |
| InertialShapeFactor | 0.0025 |
| Eccentricity | 0.9211 |
| Asphericity | 0.2823 |
| SpherocityIndex | 0.0784 |
| PBF | 0.1877 |