Ampiroxicam

C₂₀H₂₁N₃O₇S — CID 2176

About Ampiroxicam

Ampiroxicam (PubChem CID 2176) has the molecular formula C₂₀H₂₁N₃O₇S and a molecular weight of 447.47 g/mol. Its IUPAC name is ethyl 1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl]oxy]ethyl carbonate.

Molecular Properties

• Compound Name: Ampiroxicam
• PubChem CID: 2176
• Molecular Formula: C₂₀H₂₁N₃O₇S
• Molecular Weight: 447.47 g/mol
• Exact Mass: 447.11
• IUPAC Name: ethyl 1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl]oxy]ethyl carbonate
• SMILES: CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21
• InChI: InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)
• InChIKey: LSNWBKACGXCGAJ-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 124.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.47
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ampiroxicam?

The IUPAC name of Ampiroxicam (CID 2176) is ethyl 1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl]oxy]ethyl carbonate.

What is the SMILES notation for Ampiroxicam?

The canonical SMILES for Ampiroxicam is CCOC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21.

What is the InChIKey of Ampiroxicam?

The InChIKey is LSNWBKACGXCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24).

What are the key properties of Ampiroxicam?

Ampiroxicam has a molecular weight of 447.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Ampiroxicam is sourced from PubChem (CID 2176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2176 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 199 — approved-drug record (CC BY-SA 4.0)

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