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Name |
Indoprofen |
EINECS | 250-833-0 |
CAS No. | 31842-01-0 | Density | 1.308 g/cm3 |
PSA | 57.61000 | LogP | 3.10010 |
Solubility | N/A | Melting Point |
213-214° |
Formula | C17H15NO3 | Boiling Point | 511.3 °C at 760 mmHg |
Molecular Weight | 281.311 | Flash Point | 263 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-36/37/39-45 | Risk Codes | 25-40 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
(?à)-Indoprofen;1-Oxo-2-[p-[(a-methyl)carboxymethyl]phenyl]isoindoline;2-[4-(1-Oxo-2-isoindolinyl)phenyl]propanoic acid;Bor-ind;Flosin;Flosint;Indoprofen;Isindone;K 4277;Praxis;Racemic Indoprofen;Reumofene;dl-a-[4-(1-Oxo-2-isoindolinyl)phenyl]propionicacid;p-(1-Oxo-2-isoindolinyl)hydratropic acid; |
Article Data | 25 |
The IUPAC name of Indoprofen is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid. With the CAS registry number 31842-01-0, it is also named as 1-Oxo-2-(p-((alpha-methyl)carboxymethyl)phenyl)isoindoline. The product's categories are Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. It is a non-steroidal anti-inflammatory drug which increases the production of the survival of motor neuron protein.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 6.25; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 63.72; (8)ACD/KOC (pH 7.4): 1.01; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 77.7 cm3; (15)Molar Volume: 214.9 cm3; (16)Polarizability: 30.8×10-24 cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.308 g/cm3; (19)Flash Point: 263 °C; (20)Enthalpy of Vaporization: 82.36 kJ/mol; (21)Boiling Point: 511.3 °C at 760 mmHg; (22)Vapour Pressure: 2.82E-11 mmHg at 25°C.
Preparation of Indoprofen: It can be obtained by 2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionic acid ethyl ester. This reaction needs reagent KOH and solvent aq. ethanol at temperature of 70 °C. The reaction time is 3 hours. The yield is 83%.
When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. And it has limited evidence of a carcinogenic effect. So people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C
2. InChI:InChI=1/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
3. InChIKey:RJMIEHBSYVWVIN-UHFFFAOYAK
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | unreported | 84mg/kg (84mg/kg) | Bollettino Chimico Farmaceutico. Vol. 112, Pg. 291, 1973. | |
mouse | LD50 | intraperitoneal | 375mg/kg (375mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA | Farmaco, Edizione Scientifica. Vol. 36, Pg. 1037, 1981. |
mouse | LD50 | oral | 700mg/kg (700mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1100, 1973. | |
rat | LD50 | oral | 84mg/kg (84mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1100, 1973. |