기본 정보
- CAS
223652-90-2- 표준 SMILES
CS(=O)(=O)O.C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21.O- InChIKey
IGTHEWGRXUAFKF-NVJADKKVSA-N- 분자식
- C24H26F2N2O8S
- 평균 분자량
- 540.5 g/mol
- 단동위원소 질량
- 540.13779329
개요
See also: Garenoxacin (has active moiety).
이름 및 식별자
- 우선 이름
- Garenoxacin Mesylate
- IUPAC
- 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid;hydrate
- 영어명
- Garenoxacin
- 분자식
- C23H20F2N2O4.CH4O3S.H2O
- 분자량
- 540.53
이름 및 동의어
223652-90-2Garenoxacin mesylateGarenoxacin mesilateGarenoxacin mesylate [USAN]OXI6EF55FRBMS-284756-01Garenoxacin mesilate hydrateT-3811MEGarenoxacin mesilate monohydrateGarenoxacin methanesulfonateGarenoxacin mesylate (USAN)Garenoxacin mesylate anhydrous
이름 더 보기
BMS284756 (Mesylate hydrate)Garenoxacin mesylate hydrateGarenoxacin mesylate monohydrateGarenoxacin mesylate hydrate, 10 mM in DMSOGarenoxacin mesylate monohydrate >=98% (HPLC)1-cyclopropyl-8-(difluoromethoxy)-4-keto-7-[(1R)-1-methylisoindolin-5-yl]quinoline-3-carboxylic acid1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylicacid,methanesulfonicacid,hydrate1-Cyclopropyl-8-(difluoromethoxy)-7-[(1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid methanesulfonate hydrate(R)-1-cyclopropyl-8-(difluoromethoxy)-7-(1-methylisoindolin-5-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid compound with methanesulfonic acid (1:1) hydrate
물성
구조 계산 물성
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 863
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 용해도
- 100 · DMSO:100.0(Max Conc. mg/mL);185.0(Max Conc. mM)Water:12.5(Max Conc. mg/mL);23.13(Max Conc. mM)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
- 수용성
- 2 O: · H2O: 10mg/mL, clear (warmed)
- InChIKey
- IGTHEWGRXUAFKF-NVJADKKVSA-N
- SMILES
- OC(C1=CN(C2CC2)C3=C(OC(F)F)C(C4=CC(CN[C@@H]5C)=C5C=C4)=CC=C3C1=O)=O.CS(=O)(O)=O.[H]O[H]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 8.3% (1 of 12) of reports.
Warning
H373 (91.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSTOT RE 2 (91.7%)
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Antibacterial agent.
공급사55 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD.+86-18600796368 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
上海波以尔化工有限公司[email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
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