| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 13 | Yes |
Popular Name: Edaravone Edaravone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 19735-89-8 , 89-25-8 , 942-32-5 , [89-25-8]
"3-Methyl-1-phenyl-2-pyrazolin-5-one, 98%"
1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
1-Fenyl-3-methyl-2-pyrazolin-5-on
1-Fenyl-3-methyl-2-pyrazolin-5-on [Czech]
1-Phenyl-3-(Trifluoromethyl)-2-Pyrazolin-5-One [321-07-3]
1-Phenyl-3-methyl-2-pyrazolin-5-on
1-Phenyl-3-methyl-5-oxo-2-pyrazoline
1-Phenyl-3-methyl-5-pyrazolone
2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
2-Pyrazolin-5-one, 3-methyl-1-phenyl-
3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one
3-Methyl-1-phenyl-1H-pyrazol-5-ol
3-Methyl-1-phenyl-2-pyrazolin-5-one
3-methyl-1-phenyl-2-pyrazolin-5-one (mci-186)
3-Methyl-1-phenyl-2-pyrazolin-5-one, 98+%
3-Methyl-1-phenyl-2-pyrazolin-5-one, 99%
3-Methyl-1-phenyl-2-pyrazoline-5-one
3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
3-Methyl-1-phenyl-5-pyrazolone
3-Methyl-1-phenyl-5-pyrazolone, 99%+
3-Methyl-1-phenylpyrazol-5-one
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-
5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-phenyl-2h-pyrazol-3-ol
5-methyl-2-phenyl-4H-pyrazol-3-one
5-Pyrazolone, 3-methyl-1-phenyl-
89-25-8; D01552; Edaravone (JP16/INN); Radicut (TN)
InChI=1/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.33 | 4.95 | -14.59 | 1 | 3 | 0 | 38 | 174.203 | 1 | ↓ |
| Ref Reference (pH 7) | 1.78 | 5.2 | -11.06 | 0 | 3 | 0 | 33 | 174.203 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 3.03 | -7.71 | 1 | 3 | 0 | 38 | 174.203 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 116 - 118 | KeyOrganics |
| Mp [°C] | 127 - 131 | Acros Organics |
| Melting_Point | 127-131? | Alfa-Aesar |
| Melting_Point | 127-131° | Alfa-Aesar |
| MP | 128 - 130 | Enamine Building Blocks |
| MP | 128...130 | Enamine Building Blocks |
| MP | 129 | TCI |
| Boiling_Point | 191?/17mm | Alfa-Aesar |
| Boiling_Point | 191°/17mm | Alfa-Aesar |
| mp | 241 - 243 | MolMall (formerly Molecular Diversity Preservation International) |
| BP [°C] | 287 (p=265 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | APIChem |
| Therapy | antioxidant, lipoxygenase inhibitor | SMDC Iconix |
| PUBCHEM_PATENT_ID | EP0370198A1; EP0417555A1; EP0417555B1; US5118814; US5138070 | IBM Patent Data |
| Patent Database Links | EP1297849; EP1386606; EP1553087; US2006135588; WO2005037842; WO2007136555 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Target | Others | Selleck Chemicals |
| P phrase | P280: Wear protective gloves/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| UniProt Database Links | S226A_XENLA; S226B_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
