Basic information
- CAS
91524-15-1- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cccc3)cc21- InChIKey
RZLHGQLYNZQZQQ-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O3
- Average molar mass
- 300.28 g/mol
- Monoisotopic mass
- 300.09102044
Overview
Irloxacin is a small molecule drug. The usage of the INN stem '-oxacin' in the name indicates that Irloxacin is a nalidixic acid derivative antibacterial. Irloxacin has a monoisotopic molecular weight of 300.09 Da.
Names & identifiers
- Preferred name
- Irloxacin
- IUPAC
- 1-ethyl-6-fluoro-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid
- English name
- Irloxacin
- Molecular formula
- C16H13FN2O3
- Molecular weight
- 300.28
Names & synonyms
Irloxacin91524-15-1PirfloxacinIrloxacineIrloxacinoIrloxacinumNSC-61049636SG77D21BE-3432DTXSID102386103-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1H-pyrrol-1-yl)-RefChem:148770
Show more names
Irloxacin USP/EP/BPIrloxacin, 10 mM in DMSO1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1H-pyrrol-1-yl)-3-quinolinecarboxylic acidInhibitor,acid pH,antibacterial agent,Bacterial,gram-positive,oral,Irloxacin,Pirfloxacin,gram-negative bacteria,inhibit
DTXCID601611011-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1H-pyrrol-1-yl)quinoline-3-carboxylic acid6-fluorine-7-(pyrrol-1-yl)-1-ethyl-1,4-dihydro-4-oxo-quinolone-3-carboxylic acidIrloxacin [INN]1-Ethyl-6-fluoro-4-oxo-7-(1H-pyrrol-1-yl)-1,4-dihydroquinoline-3-carboxylic acid1-ethyl-6-fluoro-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-pyrrol-1-yl-3-quinolinecarboxylic acid6-Fluoro-7-(1-pyrrolyl)-1-ethyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Database identifiers
- CAS
91524-15-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 502
Physicochemical properties
- Melting point
- 252 · 252-255 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 495.9 · 495.9±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0 · DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
- pka
- -0.07 · -0.07±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- CAS DataBase Reference
- 91524 · 91524-15-1
- FDA UNII
- 36 SG77D21B · 36SG77D21B
Chemistry & industry
Applications
UsesIrloxacin (Pirfloxacin) is a quinolone antibacterial agent. Irloxacin shows greater activity with an acid pH. Irloxacin has a good in vitro antimicrobial spectrum against both gram-positive and gram-negative bacteria. Orally active[1].
Suppliers13 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司
Related reactions
1 records
Compound notes
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