Sulukast

Base Information

• Chemical Name: Sulukast
• CAS No.: 98116-53-1
• Molecular Formula: C25H36N4O3S
• Molecular Weight: 0
• UNII: M652A5186T
• Nikkaji Number: J356.362F
• Wikidata: Q27088896
• NCI Thesaurus Code: C76576
• Pharos Ligand ID: RQJQXSVA1SJR
• ChEMBL ID: CHEMBL278570
• Mol file: 98116-53-1.mol

Synonyms:5-(3-(2-(carboxyethylthio)-1-hydroxypentadeca-3,5-dienyl)phenyl)-1H-tetrazole;LY 170680;LY-170680;LY170680

Chemical Property of Sulukast

Chemical Property:

• Vapor Pressure: 8.52E-21mmHg at 25°C
• Boiling Point: 703.9°C at 760 mmHg
• Flash Point: 379.5°C
• PSA: 137.29000
• Density: 1.169g/cm³
• LogP: 5.72970
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 472.25081220
• Heavy Atom Count: 33
• Complexity: 590

Purity/Quality:

99% ^*data from raw suppliers

Sulukast ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O
• Isomeric SMILES: CCCCCCCCC/C=C\C=C\[C@H]([C@H](C1=CC=CC(=C1)C2=NNN=N2)O)SCCC(=O)O
• Uses: Sulukast is an antagonist of the cysteinyl leukotrienes C4, D4, and E4.

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