Basic information
- CAS
147059-75-4- Standard SMILES
CS(=O)(=O)O.NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12- InChIKey
DYNZICQDCVYXFW-UHFFFAOYSA-N- Molecular formula
- C21H19F3N4O6S
- Average molar mass
- 512.5 g/mol
- Monoisotopic mass
- 512.09774
Names & identifiers
- Preferred name
- Trevafloxavin mesylate
- IUPAC
- 7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
- English name
- Trovafloxacin Mesylate
- Molecular formula
- C21H19F3N4O6S
- Molecular weight
- 512.46
Names & synonyms
MLS000080907SMR000057550trevafloxavin mesylate7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acidCHEMBL1572266HMS2507P19AKOS000282606AKOS040765624TrovanCP 99219-27Unii-0p1lko80wnTrovafloxacin MonoMeth
Show more names
Trovafloxacin MethanesulfonateTrifenoxacin Methanesulfonic AcidTrovafloxacin monomethanesulfonate147059-75-4 Trovafloxacin mesylateTrovafloxacin mesylate, 10 mM in DMSOTrovafloxacin mesylate - CP 99219 mesylate
Database identifiers
- CAS
147059-75-4- PubChem CID
- 665294
- ChEMBL
CHEMBL1572266
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 863
Physicochemical properties
- Melting point
- 250 °C · >250°C (dec.)
- storage temp.
- room temp
- solubility
- 10 mg/mL · DMSO: >10mg/mL
- form
- powder
- color
- white to off-white
- InChIKey
- DYNZICQDCVYXFW-AHZSKCOENA-N
- SMILES
- S(O)(=O)(=O)C.O=C1C(=CN(C2C=CC(F)=CC=2F)C2=NC(N3C[C@@]4([H])[C@H](N)[C@@]4([H])C3)=C(F)C=C12)C(=O)O |&1:23,25,27,r|
- FDA UNII
- 0 P1LKO80WN · 0P1LKO80WN
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 314 · H314-H361
- Precautionary statements
- 201 · P201-P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
- Hazard Codes
- C
- Risk Statements
- 63 · 63-34
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- QN2791250
- ridadr
- UN 1759 8 / PGIII
- Toxicity
- women,LDLo,oral,2mg/kg (2mg/kg),SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE",Archives of Internal Medicine. Vol. 159, Pg. 2225, 1999.
- risk_code
- 63-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- hazard_code
- C
- safety_code
- 26-36-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314-H361
- Hazard Classifications
- Repr. 2Skin Corr. 1B
- Precautionary statements
- P201-P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
DescriptionTrovafloxacin is a broad spectrum antibiotic that inhibits the uncoiling of supercoiled DNA in bacteria by blocking the activity of topoisomerase IV (IC50 = 3.02 μg/ml) and DNA gyrase (IC50 = 7.13 μg/ml).
UsesTrovafloxacin mesylate has been used as a test compound in toxicity assay to assess its toxicity in 2D hepatocyte cultures. It has also been used to manipulate the mechanism of apoptotic cell disassembly during apoptosis.
UsesFluorinated quinolone antibacterial. Trovafloxacin mesylate blocks the activity of DNA gyrase and topoisomerase IV, enzymes essential in the repliction, transcription, and repair of bacterial DNA.
Upstream & downstream products
Upstream raw materials
Suppliers55 total
北京华美互利生物化工010-56205725 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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