Montelukast (CAS 1124196-02-6) — formula C35H36ClNO3S, molecular weight 586.2.
| CAS Number | 1124196-02-6 |
|---|---|
| Molecular Formula | C35H36ClNO3S |
| Molecular Weight | 586.2 |
| Melting Point | 275.9 |
| LogP | 7.9 |
| Applications | Uses: MEDICATION, Therapeutic Category: Antiasthmatic, Use (kg, approx.) in Germany (2009): >250, Use (kg) in USA (2002): 2720, Consumption (g per capita, approx.) in Germany (2009): 0.00305, Consumption (g per capita) in the USA (2002): 0.00964, Calculated removal (%): 94, Use Classification: Pharmaceuticals, Methods of Manufacturing: Preparation: ML Belley et al, EP 480717, eidem, US 5565473 (1992, 1996 both to Merck Frosst), Formulations, Preparations: Montelukast oral formulations: Granules 4 mg (of Montelukast) Singulair, Merck, Tablets, chewable 4 and 5 mg (of Montelukast) Singulair, film-coated 10 mg (of Montelukast) Singulair, General Manufacturing Information: Montelukast sodium, the active ingredient in Singulair, is a selective and orally active leukotriene receptor antagonist that inhibits the cysteinyl leukotrience CysLT, receptor., Montelukast sodium |
Documented applications: Uses: MEDICATION, Therapeutic Category: Antiasthmatic, Use (kg, approx.) in Germany (2009): >250, Use (kg) in USA (2002): 2720, Consumption (g per capita, approx.) in Germany (2009): 0.00305, Consumption (g per capita) in the USA (2002): 0.00964, Calculated removal (%): 94, Use Classification: Pharmaceuticals, Methods of Manufacturing: Preparation: ML Belley et al, EP 480717, eidem, US 5565473 (1992, 1996 both to Merck Frosst), Formulations, Preparations: Montelukast oral formulations: Granules 4 mg (of Montelukast) Singulair, Merck, Tablets, chewable 4 and 5 mg (of Montelukast) Singulair, film-coated 10 mg (of Montelukast) Singulair, General Manufacturing Information: Montelukast sodium, the active ingredient in Singulair, is a selective and orally active leukotriene receptor antagonist that inhibits the cysteinyl leukotrience CysLT, receptor., Montelukast sodium.
Montelukast is a chemical compound with CAS registry number 1124196-02-6 and molecular formula C35H36ClNO3S (molecular weight 586.2).
CAS number: 1124196-02-6
Its molecular formula C35H36ClNO3S comprises 35 C, 36 H, 1 Cl, 1 N, 3 O, 1 S atoms.
Also known as: Montelukast · 孟鲁司特
The CAS registry number of Montelukast is 1124196-02-6.
Molecular formula C35H36ClNO3S, molecular weight 586.2.
It is also registered under: Montelukast, 孟鲁司特.
Recorded applications: Uses: MEDICATION, Therapeutic Category: Antiasthmatic, Use (kg, approx.) in Germany (2009): >250, Use (kg) in USA (2002): 2720, Consumption (g per capita, approx.) in Germany (2009): 0.00305, Consumption (g per capita) in the USA (2002): 0.00964, Calculated removal (%): 94, Use Classification: Pharmaceuticals, Methods of Manufacturing: Preparation: ML Belley et al, EP 480717, eidem, US 5565473 (1992, 1996 both to Merck Frosst), Formulations, Preparations: Montelukast oral formulations: Granules 4 mg (of Montelukast) Singulair, Merck, Tablets, chewable 4 and 5 mg (of Montelukast) Singulair, film-coated 10 mg (of Montelukast) Singulair, General Manufacturing Information: Montelukast sodium, the active ingredient in Singulair, is a selective and orally active leukotriene receptor antagonist that inhibits the cysteinyl leukotrience CysLT, receptor., Montelukast sodium.
Independent reference data for Montelukast (CAS 1124196-02-6), compiled from public chemistry databases.
| CAS Registry Number | 1124196-02-6 |
|---|---|
| PubChem CID | 5281040 |
| Molecular formula | C35H36ClNO3S |
| IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
| UNII (FDA) | MHM278SD3E |
| Molecular Weight | 586.2 |
|---|---|
| XLogP3 | 7.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 585.2104429 |
| Monoisotopic Mass | 585.2104429 |
| Topological Polar Surface Area | 95.7 |
| Heavy Atom Count | 41 |
| Melting Point | 275.9 |
|---|---|
| Solubility | 8.20e-06 g/L |
| LogP | 7.9 |
montelukast; 158966-92-8; Brondilat; MHM278SD3E; DTXSID9023334; CHEBI:50730; Montelukastum; RefChem:6040; DTXCID403334; R03DC03; MK-0476; Singulair; 142522-28-9; MFCD05662278; cis-Montelukast; Montelukast (INN)
| GHS notification summary | 50% (1 / 2) |
|---|
| GHS notification summary | 50% (1 / 2) |
|---|---|
| Reported hazard statements | H302 (50%), H312 (50%), H332 (50%) |
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Montelukast · CAS 1124196-02-6 · C35H36ClNO3S. UNII MHM278SD3E. Melting Point: 275.9; Solubility: 8.20e-06 g/L; LogP: 7.9.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 孟鲁司特