Pharma Powder Montelukast Sodium For Antiasthma API

Pharma Powder Montelukast Sodium For Antiasthma API CAS No.: 151767-02-1

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Montelukast sodium, its cas register number is 151767-02-1. It also can be called Singulair; montelukast na; montelukast sodium; 2-[1-[[1-[3-[2-[(7-chloro-2-quinolyl)]vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]-propyl]sulfanylmethyl]cyclopropyl]acetic acid sodium salt; montelukast, sodium salt. Montelukast sodium is a hygroscopic, optically active, white to off-white powder. Montelukast sodium is freely soluble in ethanol, methanol, and water and practically insoluble in acetonitrile. The empirical formula is C35H35CINNaO3S, and its molecular weight is 608.18. Montelukast sodium is a selective leukotriene D4-receptor antagonist, can be used as an antiasthmatic treatment of asthma and to relieve symptoms of seasonal allergies.
Physical properties about Montelukast sodium are: (1)ACD/LogP: 7.799; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.99; (4)ACD/LogD (pH 7.4): 5.19; (5)ACD/BCF (pH 5.5): 76510.22; (6)ACD/BCF (pH 7.4): 1223.10; (7)ACD/KOC (pH 5.5): 63978.22; (8)ACD/KOC (pH 7.4): 1022.76; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Flash Point: 407.7 °C; (13)Enthalpy of Vaporization: 114.78 kJ/mol; (14)Boiling Point: 750.5 °C at 760 mmHg; (15)Vapour Pressure: 1.17E-23 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1;
(2)InChIKey=LBFBRXGCXUHRJY-HKHDRNBDSA-M;
(3)SmilesC1(CC1)(CS[C@@H](c1cc(\C=C\c2nc3c(ccc(c3)Cl)cc2)ccc1)CCc1c(cccc1)C(C)(C)O)CC(=O)[O-].[Na+]


Product Description
Montelukast sodium
CAS No.: 151767-02-1
Formula: C35H35ClNNaO3S
Molecular Weight: 608.17
Synonyms: Singulair (TN); Singulair; MK 476;
Boiling Point: 750.5 ° C at 760 mmHg
Flash Point: 407.7 ° C
Appearance: White to off-white crystalline powder
Purity: 99.5%


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