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| CAS No.: | 103177-37-3 |
|---|---|
| Name: | Pranlukast |
| Molecular Structure: | |
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|
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| Formula: | C27H23N5O4 |
| Molecular Weight: | 481.511 |
| Synonyms: | Benzamide,N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)- (9CI);4-Oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(tetrazol-5-yl)-4H-1-benzopyran;8-[4-(4-Phenylbutoxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran;Azlaire;CCN 00401;ONO 1078;ONO-RS 411;Onon;RS 411;SB 205312;Pranlukast; |
| EINECS: | 201-616-4 |
| Density: | 1.374 g/cm3 |
| Melting Point: | 236-238 °C |
| Appearance: | off-white solid |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 11-34 |
| Safety: | 16-26-36/37/39-45 |
| PSA: | 123.00000 |
| LogP: | 4.70010 |
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Specification
The Pranlukast, with the CAS registry number 103177-37-3, is also known as 4-Oxo-8-(4-(4-phenylbutoxy)benzoylamino)-2-(tetrazol-5-yl)-4H-1-benzopyran. It belongs to the product categories of Antiasthmatic; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. Its systematic name is called N-[4-oxo-2-(2H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide. This chemical's classification codes are Anti-Asthmatic Agents; Drug / Therapeutic Agent; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Leukotriene Antagonists; Reproductive Effect; Respiratory System Agents. Pranlukast is a cysteinyl leukotriene receptor-1 antagonist. This drug works similarly to Merck & Co.'s Singulair (montelukast). It is currently under clinical trials. This chemical is a potent, selective and orally active CysLT receptor antagonist. Leukotriene antagonist and can be used as an antiasthmatic.
Physical properties of Pranlukast are: (1)ACD/LogP: 3.967; (2)ACD/LogD (pH 5.5): 3.58; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 252.63; (5)ACD/BCF (pH 7.4): 11.30; (6)ACD/KOC (pH 5.5): 1421.21; (7)ACD/KOC (pH 7.4): 63.55; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 132.554 cm3; (13)Molar Volume: 350.362 cm3; (14)Polarizability: 52.549 10-24cm3; (15)Surface Tension: 72.4020004272461 dyne/cm; (16)Density: 1.374 g/cm3
When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air which only need brief contact with an ignition source and has a very low flash point or evolve highly flammable gases in contact with water. It may destroy living tissue on contact. It is highly flammable. You should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please 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 where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(OCCCCc1ccccc1)cc2)Nc5cccc3c5O/C(=C\C3=O)c4nnnn4
(2)InChI: InChI=1/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
(3)InChIKey: NBQKINXMPLXUET-UHFFFAOYAD
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD | oral | > 3gm/kg (3000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 197, 1992. | |
| mouse | LD | intravenous | > 30mg/kg (30mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 197, 1992. | |
| mouse | LD | oral | > 2gm/kg (2000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 197, 1992. | |
| mouse | LD | subcutaneous | > 2gm/kg (2000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 197, 1992. | |
| rat | LD | intravenous | > 30mg/kg (30mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 197, 1992. | |
| rat | LD | oral | > 2gm/kg (2000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 197, 1992. | |
| rat | LD | subcutaneous | > 2gm/kg (2000mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 44, Pg. 197, 1992. |