Mesoridazine

C₂₁H₂₆N₂OS₂ — CID 4078

About Mesoridazine

Mesoridazine (PubChem CID 4078) has the molecular formula C₂₁H₂₆N₂OS₂ and a molecular weight of 386.59 g/mol. Its IUPAC name is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine.

Molecular Properties

• Compound Name: Mesoridazine
• PubChem CID: 4078
• Molecular Formula: C₂₁H₂₆N₂OS₂
• Molecular Weight: 386.59 g/mol
• Exact Mass: 386.15
• IUPAC Name: 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
• SMILES: CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21
• InChI: InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
• InChIKey: SLVMESMUVMCQIY-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 23.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.59
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Mesoridazine?

The IUPAC name of Mesoridazine (CID 4078) is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine.

What is the SMILES notation for Mesoridazine?

The canonical SMILES for Mesoridazine is CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21.

What is the InChIKey of Mesoridazine?

The InChIKey is SLVMESMUVMCQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3.

What are the key properties of Mesoridazine?

Mesoridazine has a molecular weight of 386.59 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Mesoridazine is sourced from PubChem (CID 4078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4078 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1712 — approved-drug record (CC BY-SA 4.0)

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