Vilanterol

C₂₄H₃₃Cl₂NO₅ — CID 10184665

About Vilanterol

Vilanterol (PubChem CID 10184665) has the molecular formula C₂₄H₃₃Cl₂NO₅ and a molecular weight of 486.44 g/mol. Its IUPAC name is 4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol.

Molecular Properties

• Compound Name: Vilanterol
• PubChem CID: 10184665
• Molecular Formula: C₂₄H₃₃Cl₂NO₅
• Molecular Weight: 486.44 g/mol
• Exact Mass: 485.17
• IUPAC Name: 4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
• SMILES: OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
• InChI: InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1
• InChIKey: DAFYYTQWSAWIGS-DEOSSOPVSA-N
• XLogP: 4.61
• TPSA: 91.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.44
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Vilanterol?

The IUPAC name of Vilanterol (CID 10184665) is 4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol.

What is the SMILES notation for Vilanterol?

The canonical SMILES for Vilanterol is OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O.

What is the InChIKey of Vilanterol?

The InChIKey is DAFYYTQWSAWIGS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1.

What are the key properties of Vilanterol?

Vilanterol has a molecular weight of 486.44 g/mol, XLogP of 4.61, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Vilanterol is sourced from PubChem (CID 10184665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10184665 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4799 — approved-drug record (CC BY-SA 4.0)

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