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Pranlukast

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Name

Pranlukast

EINECS 201-616-4
CAS No. 103177-37-3 Density 1.374 g/cm3
PSA 123.00000 LogP 4.70010
Solubility N/A Melting Point 236-238 °C
Formula C27H23N5O4 Boiling Point N/A
Molecular Weight 481.511 Flash Point N/A
Transport Information N/A Appearance off-white solid
Safety 16-26-36/37/39-45 Risk Codes 11-34
Molecular Structure Molecular Structure of 103177-37-3 (Pranlukast) Hazard Symbols FlammableF, CorrosiveC
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;

Article Data 14

Pranlukast 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.

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