Ly 171883

• CAS: 88107-10-2
• Catalog Number: ACM88107102
• Category: Anionic Surfactants
• Molecular Weight: 318.3709
• Molecular Formula: C₁₆H₂₂N₄O₃
• Synonyms: Tomelukast; 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone; Tomelukastum
• IUPAC Name: 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
• Canonical SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2
• InChI Key: MWYHLEQJTQJHSS-UHFFFAOYSA-N
• Boiling Point: 553ºC
• Flash Point: 288.3ºC
• Density: 1.22 g/cm³
• Exact Mass: 318.16900
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Safety Description: 36

Custom Q&A

What is the molecular formula of Tomelukast?

The molecular formula of Tomelukast is C16H22N4O3.

What is the molecular weight of Tomelukast?

The molecular weight of Tomelukast is 318.37 g/mol.

What is the IUPAC name of Tomelukast?

The IUPAC name of Tomelukast is 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone.

What is the InChIKey of Tomelukast?

The InChIKey of Tomelukast is MWYHLEQJTQJHSS-UHFFFAOYSA-N.

What is the Canonical SMILES of Tomelukast?

The Canonical SMILES of Tomelukast is CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2.

How many hydrogen bond donor counts does Tomelukast have?

Tomelukast has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Tomelukast have?

Tomelukast has 6 hydrogen bond acceptor counts.

What is the topological polar surface area of Tomelukast?

The topological polar surface area of Tomelukast is 101 Å^2.

How many rotatable bond counts does Tomelukast have?

Tomelukast has 9 rotatable bond counts.

What is the complexity value of Tomelukast?

The complexity value of Tomelukast is 369.