기본 정보
- CAS
79644-90-9- 표준 SMILES
CC1CCc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23- InChIKey
JATLJHBAMQKRDH-UHFFFAOYSA-N- 분자식
- C19H22FN3O3
- 평균 분자량
- 359.4 g/mol
- 단동위원소 질량
- 359.16451978
이름 및 식별자
- 우선 이름
- Vebufloxacin
- IUPAC
- 7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
- 영어명
- Vebufloxacin
- 분자식
- C19H22FN3O3
- 분자량
- 359.4
이름 및 동의어
Vebufloxacin79644-90-9vebufloxacinevebufloxacinoSXI3MP1G46OPC-7241Opc 7241vebufloxacinumRefChem:193884(+-)-9-Fluoro-6,7-Dihydro-5-Methyl-8-(4-Methyl-1-Piperazinyl)-1-Oxo-1H, 5H-Benzo(II)Quinolizine-2-Carboxylic AcidVebufloxacin [INN]Flumenique; OPC7241; DM8966
이름 더 보기
DM8966OPC-19AFlumeniqueVebufloxacin USP/EP/BP8-Fluoro-5,6-dihydro-4-methyl-7-(4-methyl-1-piperazinyl)-1-oxo-4H-3a-aza-1H-phenalene-2-carboxylic acid9-Fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-
1H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 9-fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-1H,5H-Benzo(ij)quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-8-(4-methyl-1-piperazinyl)-1-oxo-7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acidBenofloxacin9-Fluoro-5-methyl-8-(4-methylpiperazin-1-yl)-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acidUNII-SXI3MP1G46VEBUFLOXACIN [JAN]SCHEMBL866602
데이터베이스 식별자
- CAS
79644-90-9- PubChem CID
- 71235
- DTXSID
DTXSID10868532- ChEMBL
CHEMBL2104463- UNII
- SXI3MP1G46
- Nikkaji
- J355.031A
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 64.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 632
물리화학적 성질
- 끓는 점
- 579.1 · 579.1±50.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 5.55 · 5.55±0.40(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사9 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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