Sparfloxacin

C₁₉H₂₂F₂N₄O₃ — CID 6956367

About Sparfloxacin

Sparfloxacin (PubChem CID 6956367) has the molecular formula C₁₉H₂₂F₂N₄O₃ and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

• Compound Name: Sparfloxacin
• PubChem CID: 6956367
• Molecular Formula: C₁₉H₂₂F₂N₄O₃
• Molecular Weight: 392.41 g/mol
• Exact Mass: 392.17
• IUPAC Name: 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate
• SMILES: C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1
• InChI: InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
• InChIKey: DZZWHBIBMUVIIW-DTORHVGOSA-N
• XLogP: -0.28
• TPSA: 108.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.41
LogP ≤ 5	-0.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sparfloxacin?

The IUPAC name of Sparfloxacin (CID 6956367) is 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate.

What is the SMILES notation for Sparfloxacin?

The canonical SMILES for Sparfloxacin is C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1.

What is the InChIKey of Sparfloxacin?

The InChIKey is DZZWHBIBMUVIIW-DTORHVGOSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+.

What are the key properties of Sparfloxacin?

Sparfloxacin has a molecular weight of 392.41 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Sparfloxacin is sourced from PubChem (CID 6956367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6956367 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2466 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.