Edaravone
CAS Number: 89-25-8
Molecular Mass: 174.2 g/mol
Formula: C10H10N2O
Smiles: CC1=NN(c2ccccc2)C(=O)C1
Synonymes:
Edaravone, MCI-186, MCI 186, RefChem:57584, edaravone, 89-25-8, Radicut, 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE, Norphenazone, 1-Phenyl-3-methyl-5-pyrazolone, Developer Z, Methylphenylpyrazolone, Norantipyrine, C.I. Developer 1, Phenylmethylpyrazolone, Phenyl methyl pyrazolone, Radicava, 3-Methyl-1-phenyl-5-pyrazolone, 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one, 3-Methyl-1-phenyl-2-pyrazoline-5-one, 5-methyl-2-phenyl-4H-pyrazol-3-one, 1-Phenyl-3-methyl-5-oxo-2-pyrazoline, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-, 1-Phenyl-3-methylpyrazolone, 2-Pyrazolin-5-one, 3-methyl-1-phenyl-, 1-Phenyl-3-methylpyrazolone-5, 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, Edaravone (MCI-186), 3-Methyl-1-phenylpyrazol-5-one, NCI-C03952, 5-Pyrazolone, 3-methyl-1-phenyl-, MFCD00003138, Colorex pmp, Jarocol pmp, NSC-2629, 1-Fenyl-3-methyl-2-pyrazolin-5-on, NSC-26139, 3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one, DTXSID9021130, 1-Phenyl-3-methyl-5-pyrazolinone, S798V6YJRP, MLS000069602, 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE (MCI-186), CHEBI:31530, s1326, CI Developer 1, NCGC00164015-01, SMR000059020, Edaravone [INN], DTXCID201130, Monopyrazolone, WLN: T5NMV DHJ BR& E1, CAS-89-25-8, CCRIS 512, Radicut (TN), HSDB 4102, 3H-Pyrazol-3-one,4-dihydro-5-methyl-2-phenyl-, SR-01000000135, 1-Fenyl-3-methyl-2-pyrazolin-5-on [Czech], EINECS 201-891-0, UNII-S798V6YJRP, BRN 0609575, edaravona, 3-?Methyl-?1-?phenyl-?2-?pyrazolin-?5-?one(Edaravone), AI3-03557, MCI186, (Edaravone), Radicava (TN), (MCI-186), Edaravone (Standard), CDS1_000986, Spectrum_000267, Tocris-0786, EDARAVONE [JAN], MCI-186, Edaravone, Edaravone [USAN:INN], EDARAVONE [HSDB], EDARAVONE [USAN], Maybridge1_005738, Opera_ID_1057, Spectrum2_001574, Spectrum3_000971, Spectrum4_001091, Spectrum5_001217, NORPHENAZONE [MI], Phenazone impurity A CRS, M0687, EDARAVONE [MART.], EC 201-891-0, EDARAVONE [WHO-DD], SCHEMBL4704, BSPBio_001235, BSPBio_002601, KBioGR_000575, KBioGR_001502, KBioSS_000575, KBioSS_000747, AE-641/00371017, MLS001146878, MLS002415675, MLS006011753, DivK1c_001018, DivK1c_002026, SCHEMBL148321, SPECTRUM1503635, SPBio_001508, CHEMBL290916, orb1310644, orb3139607, SCHEMBL4099403, SCHEMBL8935505, SCHEMBL9439001, 1-pheny-3-methyl-5-pyrazolone, Edaravone (USAN/JP18/INN), EDARAVONE [ORANGE BOOK], BCBcMAP01_000127, GTPL11994, HMS503K17, HMS557M18, HY-B0099R, KBio1_001018, KBio2_000575, KBio2_000747, KBio2_003143, KBio2_003315, KBio2_005711, KBio2_005883, KBio3_001029, KBio3_001030, KBio3_001821, NSC2629, NINDS_001018, 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (Edaravone), Bio1_000438, Bio1_000927, Bio1_001416, Bio2_000448, Bio2_000928, GLXC-05042, HMS1362M17, HMS1792M17, HMS1990M17, HMS2234M19, HMS3266F04, HMS3403M17, HMS3411L05, HMS3654L15, HMS3675L05, HMS3884A11, HMS5079B11, Pharmakon1600-01503635, DZB76567, HY-B0099, NSC26139, Tox21_112077, Tox21_201747, Tox21_302819, BDBM50200541, CCG-39352, EBC-03526, MSK000657, NSC758622, STK201315, 1-Phenyl-3-methyl-2-pyrazolin-5-on, AKOS000313817, Tox21_112077_1, AC-4745, CS-1832, DB12243, FE22642, NSC-758622, SB19128, IDI1_001018, IDI1_002203, NCGC00018218-01, NCGC00018218-02, NCGC00018218-03, NCGC00018218-04, NCGC00018218-05, NCGC00018218-06, NCGC00018218-07, NCGC00018218-08, NCGC00018218-10, NCGC00018218-11, NCGC00018218-17, NCGC00022665-02, NCGC00022665-04, NCGC00022665-05, NCGC00022665-06, NCGC00256515-01, NCGC00259296-01, ST012744, SY008808, PHENAZONE IMPURITY A [EP IMPURITY], SBI-0051836.P002, DB-002517, NS00002708, SW148216-2, 5-methyl-2-phenyl-2,4-dihydro-3-pyrazolone, EN300-16234, 3-Methyl-1-phenyl-2-pyrazoline-5-one, 99%, 4E-901, 5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one, D01552, D86209, 3-?Methyl-?1-?phenyl-?2-?pyrazolin-?5-?one, AB00375776_14, AB00375776_15, 2 4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, 2,4-dihydro-2-phenyl-5-methyl-3H-pyrazol-3-one, F038216, Q335099, SR-01000000135-2, SR-01000000135-3, SR-01000000135-5, 5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one #, BRD-K35458079-001-04-2, BRD-K35458079-001-12-5, BRD-K35458079-001-23-2, BRD-K35458079-001-27-3, BRD-K35458079-001-28-1, BRD-K35458079-001-29-9, BRD-K35458079-001-31-5, BRD-K35458079-001-33-1, Z50145861, F0391-0021, 3-Methyl-1-phenyl-2-pyrazoline-5-one, SAJ special grade, 3-Methyl-1-phenyl-2-pyrazoline-5-one, purum, >=98.0% (NT), Phenazone impurity A, European Pharmacopoeia (EP) Reference Standard, InChI=1/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H
Bioactivity: -
Solubility in Different Solvents
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 283.2222 |
| PMI2 | 965.6835 |
| PMI3 | 1242.4011 |
| NPR1 | 0.2280 |
| NPR2 | 0.7773 |
| RadiusOfGyration | 2.6741 |
| InertialShapeFactor | 0.0027 |
| Eccentricity | 0.9737 |
| Asphericity | 0.4712 |
| SpherocityIndex | 0.0401 |
| PBF | 0.1562 |