기본 정보
- CAS
147059-75-4- 표준 SMILES
CS(=O)(=O)O.NC1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12- InChIKey
DYNZICQDCVYXFW-GIPYJWDTSA-N- 분자식
- C21H19F3N4O6S
- 평균 분자량
- 512.5 g/mol
- 단동위원소 질량
- 512.09774
개요
Trovafloxacin mesylate is a methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. It has a role as an antimicrobial agent, an antibacterial drug, a hepatotoxic agent, a topoisomerase IV inhibitor and a DNA synthesis inhibitor. It contains a trovafloxacin(1+).
이름 및 식별자
- 우선 이름
- Trovafloxacin mesylate
- IUPAC
- 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
- 영어명
- Trovafloxacin Mesylate
- 분자식
- C21H19F3N4O6S
- 분자량
- 512.46
이름 및 동의어
Trovafloxacin mesylate147059-75-4TrovanTrovafloxacin mesilateTrovafloxacin (mesylate)Trovafloxacin monomethanesulfonateTrovafloxacin methanesulfonateTrovafloxacin mesylate [USAN]CP 99219DTXSID0045701CP-99219-27rel-7-((1R,5S,6s)-6-Amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid compound with methanesulfonic acid (1:1)
이름 더 보기
Trovafloxacin MonoMethTrifenoxacin Methanesulfonic Acid147059-75-4 Trovafloxacin mesylateTrovafloxacin mesylate, 10 mM in DMSOTrovafloxacin mesylate - CP 99219 mesylate
0P1LKO80WNCP-99,219-27Trovafloxacin mesylate (USAN)DTXCID80257017-((1R,5S,6s)-6-Amino-3-azabicyclo(3.1.0)hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid, monomethanesulfonateCAS-147059-75-4UNII-0P1LKO80WNCP 99219-27
물성
구조 계산 물성
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 863
물리화학적 성질
- 녹는점
- 250 °C · >250°C (dec.)
- 저장 조건
- room temp
- 용해도
- 10 mg/mL · DMSO: >10mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- InChIKey
- DYNZICQDCVYXFW-AHZSKCOENA-N
- SMILES
- S(O)(=O)(=O)C.O=C1C(=CN(C2C=CC(F)=CC=2F)C2=NC(N3C[C@@]4([H])[C@H](N)[C@@]4([H])C3)=C(F)C=C12)C(=O)O |&1:23,25,27,r|
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- rtecs
- QN2791250
- ridadr
- UN 1759 8 / PGIII
- 독성
- women,LDLo,oral,2mg/kg (2mg/kg),SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE",Archives of Internal Medicine. Vol. 159, Pg. 2225, 1999.
- risk_code
- 63-34
- hazard_code
- C
- safety_code
- 26-36-45
- Hazard Classifications
- Repr. 2Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
개요Trovafloxacin is a broad spectrum antibiotic that inhibits the uncoiling of supercoiled DNA in bacteria by blocking the activity of topoisomerase IV (IC50 = 3.02 μg/ml) and DNA gyrase (IC50 = 7.13 μg/ml).
용도Fluorinated quinolone antibacterial. Trovafloxacin mesylate blocks the activity of DNA gyrase and topoisomerase IV, enzymes essential in the repliction, transcription, and repair of bacterial DNA.
상·하류 제품 정보
상류 원료
공급사55 곳
北京华美互利生物化工010-56205725 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北研科时代科技有限公司15780669880 · [email protected]
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