Zaltoprofen

C₁₇H₁₄O₃S — CID 5720

About Zaltoprofen

Zaltoprofen (PubChem CID 5720) has the molecular formula C₁₇H₁₄O₃S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid.

Molecular Properties

• Compound Name: Zaltoprofen
• PubChem CID: 5720
• Molecular Formula: C₁₇H₁₄O₃S
• Molecular Weight: 298.36 g/mol
• Exact Mass: 298.07
• IUPAC Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid
• SMILES: CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2
• InChI: InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)
• InChIKey: MUXFZBHBYYYLTH-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 54.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.36
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Zaltoprofen?

The IUPAC name of Zaltoprofen (CID 5720) is 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid.

What is the SMILES notation for Zaltoprofen?

The canonical SMILES for Zaltoprofen is CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2.

What is the InChIKey of Zaltoprofen?

The InChIKey is MUXFZBHBYYYLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20).

What are the key properties of Zaltoprofen?

Zaltoprofen has a molecular weight of 298.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Zaltoprofen is sourced from PubChem (CID 5720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5720 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2858 — approved-drug record (CC BY-SA 4.0)

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