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기본 정보
- CAS
113617-63-3- 표준 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- 분자식
- C19H20F3N3O3
- 평균 분자량
- 395.4 g/mol
- 단동위원소 질량
- 395.14567599
이름 및 식별자
- 우선 이름
- Orbifloxacin
- IUPAC
- 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
- 영어명
- Orbifloxacin
- 분자식
- C19H20F3N3O3
- 분자량
- 395.38
이름 및 동의어
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:57814
이름 더 보기
ObixacinMarufloxacinOrbifloxacin CRSOrbifloxacin (350 mg)Orbifloxacin StandardMr Than the effect ofOrbifloxacin, Vetranal
DTXCID9017777861-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
데이터베이스 식별자
- CAS
113617-63-3- PubChem CID
- 60605
- DTXSID
DTXSID7046201- ChEMBL
CHEMBL295433- ChEBI
CHEBI:183823- UNII
- 660932TPY6
- EC Number
- 638-855-2
- Nikkaji
- J323.323E
물성
구조 계산 물성보충 중
- XLogP
- 0.9
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 691
실험 및 물리화학적 성질
Collision Cross Section
196.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
206.1 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]；199.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
199.41 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；184.66 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 259 · 259-260°
- 끓는 점
- 590.7 · 590.7±50.0 °C(Predicted)
- 밀도
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 가열, 초음파 처리), 메탄올(약간 가열, 초음파 처리)에 용해됨
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 1 · pKa1: 5.60; pKa2 8.90(at 25℃)
- 색상
- 흰색에서 연한 노란색
- InChI
- InChI=1/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
- InChIKey
- QIPQASLPWJVQMH-DTORHVGONA-N
- SMILES
- N1(C2CC2)C2=C(C(F)=C(F)C(N3C[C@H](C)N[C@H](C)C3)=C2F)C(=O)C(C(O)=O)=C1 |&1:13,16,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Regulatory InformationOrbifloxacin: 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 CategoriesRepr. 2 (100%)
규제 정보
Regulatory InformationOrbifloxacin: 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.
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC CodeQJ - Antiinfectives for systemic use；QJ01 - Antibacterials for systemic use；QJ01M - Quinolone and quinoxaline antibacterials；QJ01MA - Fluoroquinolones；QJ01MA95 - Orbifloxacin
용도 및 제조
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
응용 분야
용도Orbifloxacin is a fluoroquinolone antibiotic used in veterinary medicine, mainly for the treatment of staphylococcal infections in dogs.
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