HCID60605

Orbifloxacin

1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid

C19H20F3N3O3395.4 g/molCAS 113617-63-3

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IDENTITY

结构与身份

标准 SMILES: C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1
InChIKey: QIPQASLPWJVQMH-DTORHVGOSA-N
分子式: C19H20F3N3O3
平均分子量: 395.4 g/mol
单同位素质量: 395.14567599

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 72.9 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 3
重原子: 28
形式电荷: 0
复杂度: 691

PROPERTIES

实验与物化性质

来源：PubChem

Collision Cross Section

196.7 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

206.1 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]；199.5 Å² [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]

199.41 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；184.66 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Orbifloxacin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories

Repr. 2 (100%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Orbifloxacin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

PHARMACOLOGY

药理信息

来源：PubChem

ATC Code

QJ - Antiinfectives for systemic use；QJ01 - Antibacterials for systemic use；QJ01M - Quinolone and quinoxaline antibacterials；QJ01MA - Fluoroquinolones；QJ01MA95 - Orbifloxacin

USES

用途与制造

来源：PubChem

Use Classification

Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

ALIASES

名称与别名

共 112 条

ORBIFLOXACIN113617-63-3OrbaxorbifloxacineorbifloxacinoDTXSID7046201NSC-758614660932TPY61-cyclopropyl-7-((3S,5R)-3,5-dimethylpiperazin-1-yl)-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidorbifloxacinumOrbax TabletsRefChem:57814DTXCID9017777861-cyclopropyl-7-((3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl)-5,6,8-trifluoro-4-oxoquinoline-3-carboxylate638-855-2MFCD008648583-Quinolinecarboxylic acid, 1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-, rel-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acidNCGC00160518-01CP-104354

REACTIONS

参与反应

0 条

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