Basic information
- CAS
91296-87-6- Standard SMILES
Cl.O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O- InChIKey
KNWODGJQLCISLC-UHFFFAOYSA-N- Molecular formula
- C20H18ClF2N3O3
- Average molar mass
- 421.8 g/mol
- Monoisotopic mass
- 421.1004755
Overview
Sarafloxacin hydrochloride is a member of quinolines.
Names & identifiers
- Preferred name
- Sarafloxacin Hydrochloride
- IUPAC
- 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
- English name
- Sarafloxacin hydrochloride
- Molecular formula
- C20H18ClF2N3O3
- Molecular weight
- 421.83
Names & synonyms
SARAFLOXACIN HYDROCHLORIDE91296-87-6Sarafloxacin HClSarafinSaraFlox WSPSarafloxacin monohydrochlorideABBOTT-56620SaraFlox InjectableI36JP4Q9DFNSC-758956DTXSID8045939ABBOTT-57135 HYDROCHLORIDE
Show more names
PD 121960A-56620 HCl3-QuinolinecPICOXYSTROBIN, PESTANALDifloxacin EP Impurity Bsarafloxacin hydrochloridarafloxacin hydrochloride
DTXCID60259393-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, monohydrochlorideRefChem:181312SarafloxSarafloxacin (hydrochloride)A-56620 (hydrochloride)Sarafloxacin hydrochloride [USAN]1352879-52-7
Database identifiers
- CAS
91296-87-6- PubChem CID
- 56207
- DTXSID
DTXSID8045939- ChEMBL
CHEMBL542157- ChEBI
Properties
Computed structural properties
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 645
Experimental & physicochemical properties
Collision Cross Section199.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 240 °C · >240°C (dec.)
- Flash point
- 110 ° · >110°(230°F)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Very Slightly, Heated)
- form
- Solid
- color
- Pale Yellow
- Water Solubility
- Soluble in water
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H
- InChIKey
- KNWODGJQLCISLC-UHFFFAOYSA-N
- SMILES
- C12C=C(C(F)=CC=1C(C(C(=O)O)=CN2C1C=CC(F)=CC=1)=O)N1CCNCC1.Cl
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesSarafloxacin is a fluorinated quinolone antibacterial.
Usesprogestin, antiandrogen
UsesA fluoroquinolone antibacterial agent
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
武汉灵灵九生物科技有限公司15623309010 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
石家庄金石贝美进出口贸易有限公司0311-89171450 15373918792 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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