Homofenazine

C₂₃H₂₈F₃N₃OS — CID 19687

About Homofenazine

Homofenazine (PubChem CID 19687) has the molecular formula C₂₃H₂₈F₃N₃OS and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

• Compound Name: Homofenazine
• PubChem CID: 19687
• Molecular Formula: C₂₃H₂₈F₃N₃OS
• Molecular Weight: 451.56 g/mol
• Exact Mass: 451.19
• IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol
• SMILES: OCCN1CCCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
• InChI: InChI=1S/C23H28F3N3OS/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30/h1-2,5-8,17,30H,3-4,9-16H2
• InChIKey: LOHNHQLZFYCAEQ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 29.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.56
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Homofenazine?

The IUPAC name of Homofenazine (CID 19687) is 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol.

What is the SMILES notation for Homofenazine?

The canonical SMILES for Homofenazine is OCCN1CCCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.

What is the InChIKey of Homofenazine?

The InChIKey is LOHNHQLZFYCAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3OS/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30/h1-2,5-8,17,30H,3-4,9-16H2.

What are the key properties of Homofenazine?

Homofenazine has a molecular weight of 451.56 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Homofenazine is sourced from PubChem (CID 19687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19687 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1382 — approved-drug record (CC BY-SA 4.0)

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