OfloxacinEP불순물C
Defluoroofloxacin
기본 정보
- CAS
95848-94-5- 표준 SMILES
CC1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)O)cn1c23- InChIKey
ANLIAKDHRADSBT-UHFFFAOYSA-N- 분자식
- C18H21N3O4
- 평균 분자량
- 343.4 g/mol
- 단동위원소 질량
- 343.15320616
이름 및 식별자
- 우선 이름
- Defluoroofloxacin
- IUPAC
- 2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
- 현지명
- OfloxacinEP불순물C
- 영어명
- Ofloxacin EP Impurity C
- 분자식
- C18H21N3O4
- 분자량
- 343.38
이름 및 동의어
Defluoroofloxacin95848-94-5Ofloxacin EP Impurity CDesfluoroofloxacinDefluoroofloxacin, (+/-)-4Q53R99NFD2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid(3RS)-3-Methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-DefluoroLevofloxacin-d3(RS)-2,3-Dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-
이름 더 보기
OfloxacinEP불순물C3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acidReaxys ID: 6009059OFLOXACIN DESFLUORO IMPOfloxacin Impurity 3(Ofloxacin EP Impurity C)Ofloxacin EP Impurity C (Ofloxacin Desfluoro Impurity)3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxyl
UNII-4Q53R99NFDOfloxacin specified impurity C [EP]SCHEMBL15502452DTXSID201109130OFLOXACIN IMPURITY C [EP IMPURITY]Q272603627H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-; 2,3-Dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid; Defluoroofloxacin; Desfluorooflox
데이터베이스 식별자
- CAS
95848-94-5- PubChem CID
- 13055418
- DTXSID
DTXSID201109130- UNII
- 4Q53R99NFD
- Nikkaji
- J3.496.487D
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 73.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 599
물리화학적 성질
- 녹는점
- 226 · 226-227 °C(Solv: ethanol (64-17-5))
- 끓는 점
- 561.4 · 561.4±50.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 5 · 5+-.0.40(Predicted)
- 주요 응용
- 소분자 약용
- InChI
- 1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)
- InChIKey
- ANLIAKDHRADSBT-UHFFFAOYSA-N
- SMILES
- CC(CO1)N2C3=C1C(N4CCN(C)CC4)=CC=C3C(C(C(O)=O)=C2)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Desfluoroofloxacin is an impurity of Ofloxacin (O245750). Ofloxacin is a fluorinated quinolone antibacterial.
관련 반응
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