Besifloxacin Hydrochloride

CAS 405165-61-9  ·  C₁₉H₂₂Cl₂FN₃O₃  ·  MW 430.3 g/mol

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3D model Besifloxacin Hydrochloride, CAS 405165-61-9, molecular formula C₁₉H₂₂Cl₂FN₃O₃, molar mass 430.3 g/mol
About Besifloxacin Hydrochloride

Besifloxacin Hydrochloride is a chemical compound registered under number CAS 405165-61-9, with the molecular formula C₁₉H₂₂Cl₂FN₃O₃, and a molar mass of 430.3 g/mol.

The molecule contains 50 atoms connected by 52 chemical bonds. The full systematic IUPAC name of this compound is 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 86.9 Ų, 3 donors and 7 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC₁₉H₂₂Cl₂FN₃O₃
Molar mass430.3 g/mol
IUPAC7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESC1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl
InChIKeyPMQBICKXAAKXAY-HNCPQSOCSA-N
logP (XLogP3)—
PSA86.9 Ų
HBD / HBA3 / 7
PubChem CIDCID 10224595 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Besifloxacin hydrochloride · 405165-61-9 · Besifloxacin HCl · SS734 · Besifloxacin (as hydrochloride) · SS-734 · 7506A6J57T · RefChem:56417 · DTXCID10116020 · Besivance · Besifloxacin (Hydrochloride) · Besifloxacin hydrochloride [USAN] · MFCD14636632 · 405165-61-9 (HCl) · BOL-303224-A
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94+UFF force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  7. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  8. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/10224595
  9. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Besifloxacin Hydrochloride (CAS 405165-61-9), C₁₉H₂₂Cl₂FN₃O₃ - 3D ball-and-stick molecular model, engraved element symbols (C H Cl F N O), MolGod STL previewDownload image

MG-STL-405165-61-9-ENGRAVED · 629,714 △ · 30 MB · SHA-256 36ac283600083514

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Besifloxacin Hydrochloride (CAS 405165-61-9), C₁₉H₂₂Cl₂FN₃O₃ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Besifloxacin Hydrochloride · 405165-61-9
InChIKey
PMQBICKXAAKXAY-HNCPQSOCSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Besifloxacin Hydrochloride (CAS 405165-61-9)
License & provenance record
Besifloxacin Hydrochloride (CAS 405165-61-9) →
MolGod molecule record
Besifloxacin Hydrochloride →
Source data
PubChem CID 10224595 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
16e0fe533c758f1aa87662f01c8cf6a48b89be4126c46d28eff644b429da23e9
MD5 (STL)
d018842b69f805146ac93fe620c55c50
Model identifier
MG-STL-405165-61-9
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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