Aceprometazine

C₁₉H₂₂N₂OS — CID 26035

About Aceprometazine

Aceprometazine (PubChem CID 26035) has the molecular formula C₁₉H₂₂N₂OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.

Molecular Properties

• Compound Name: Aceprometazine
• PubChem CID: 26035
• Molecular Formula: C₁₉H₂₂N₂OS
• Molecular Weight: 326.47 g/mol
• Exact Mass: 326.15
• IUPAC Name: 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone
• SMILES: CC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2
• InChI: InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
• InChIKey: XLOQNFNTQIRSOX-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 23.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.47
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Aceprometazine?

The IUPAC name of Aceprometazine (CID 26035) is 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone.

What is the SMILES notation for Aceprometazine?

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

What is the InChIKey of Aceprometazine?

The InChIKey is XLOQNFNTQIRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3.

What are the key properties of Aceprometazine?

Aceprometazine has a molecular weight of 326.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Aceprometazine is sourced from PubChem (CID 26035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 26035 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 50 — approved-drug record (CC BY-SA 4.0)

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