| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: Antipyrine Antipyrine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 480-30-8 , 520-07-0 , 60-80-0 , 8066-49-7 , [520-07-0] , [60-80-0]
1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one; 2,3-Dimethyl-1-phenyl-5-pyrazolone; Antipyrine
1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1,5-dimethyl-2-phenylpyrazol-3-one
2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one
2,3-DiMethyl-1-phenyl-5-pyrazolone
480-30-8; D03785; Dichloralphenazone (USP)
60-80-0; Antipyrine (JP16/USP); D01776; Phenazone (INN)
60-80-0; Antipyrine; C13244; Phenazone
60-80-0; Antipyrine; Prestwick_26
| 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) | 1.40 | 5.88 | -16.84 | 0 | 3 | 0 | 27 | 188.23 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.084 | Bitter DB |
| Mp [°C] | 109 - 113 | Acros Organics |
| MP | 111 - 114 | Enamine Building Blocks |
| Melting_Point | 111-114? | Alfa-Aesar |
| Melting_Point | 111-114° | Alfa-Aesar |
| MP | 111...114 | Enamine Building Blocks |
| MP | 113 | TCI |
| BP [°C] | 319 | Acros Organics |
| BP | 319 / 174 | TCI |
| ALOGPS_SOLUBILITY | 4.74e+01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | analgesic | SMDC Iconix |
| Target | COX | Selleck Chemicals |
| Patent Database Links | EP1938803; US2003109520; US2006025414; US2007185100; US2007237820; WO2005009928; WO2005080386 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Target | Others | Selleck Chemicals |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
