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曲伐沙星 | 147059-72-1

曲伐沙星结构式图片|147059-72-1结构式图片
曲伐沙星
TROVAFLOXACIN
147059-72-1
C20H15F3N4O3
416.3533
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:曲伐沙星结构式
62959
简介
曲伐沙星(trovafloxacin)又名特伐沙星,分子式为C20H15F3N4O3,分子量为416.35300,密度为1.612g/cm3,熔点为246ºC,沸点为630.5ºC at 760mmHg,闪点为335.1ºC,折射率为1.672。
名称和标识符
MDL MFCD00871697
InChIKey WVPSKSLAZQPAKQ-CDMJZVDBSA-N
Inchi InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+
SMILES C1=CC(=C(C=C1F)F)N2C=C(C(=O)C3=CC(=C(N=C32)N4C[C@H]5[C@@H](C4)[C@@H]5N)F)C(=O)O
别名信息
- 中文别名 -
  • 曲伐沙星
  • 曲伐沙星,曲氟沙星
  • (1Α,5Α,6Α)-7-(6-氨基-3-氮杂二环[3.1.0]己-3-基)-1-(2,4-二氟苯基)-6-氟-1,4-二氢-4-氧-1,8-萘啶-3-羧酸
  • 特伐沙星
  • 3-苯基-5-异噻唑羧酸
  • 7-[(1α,5α,6α)-6-氨基-3-氮杂双环[3.1.0]-3-己基]-1-(2,4-二氟苯基)-6-氟-1,4-二氢-4-氧代-1,8-萘啶-3-羧酸
  • 聚苯乙烯磺酸钙
  • 曲氟沙星
- 英文别名 -
  • TROVAFLOXACIN
  • 1,8-Naphthyridine-3-carboxylic acid, 7-(1.alpha.,5.alpha.,6.alpha.)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
  • (1α,5α,6α)-7-(6-Amino-3-azabi-cyclo[3.1.0]hex-3-y1)-1-(2,4-difluomphenyl)-6-fluom-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • CP-99219
  • Trovan:CP-99219-27
  • 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
  • 1,8-Naphthyridine-3-carboxylic acid, 7-[(1α,5α,6α)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
  • 7-(3-azabicyclo[3.1.0]hexyl)-naphthyridone
  • 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid
  • 7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 7-[(1R,5S)-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • Trovafloxacin
  • TROVAFLOXACIN [EMA EPAR]
  • EX-A897
  • DB00685
  • CHEBI:9763
  • NS00002841
  • HY-A0170
  • (1alpha,5alpha,6alpha)-7-(6-Amino-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
  • UNII-9F388J00UK
  • Trovan (oral)
  • SCHEMBL9177464
  • BCP12644
  • SCHEMBL34466
  • 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
  • 7-((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
  • TR6
  • Fluorinated quinolone
  • Trovafloxacin [INN]
  • 1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, 7-(6-AMINO-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-(1.ALPHA.,5.ALPHA.,6.ALPHA.)-
  • 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
  • MFCD00871697
  • trovafloxacine
  • TVFX
  • A935288
  • TROVAFLOXACIN [WHO-DD]
  • SCHEMBL34465
  • WVPSKSLAZQPAKQ-CDMJZVDBSA-N
  • GLXC-25514
  • 9F388J00UK
  • 1,8-Naphthyridine-3-carboxylic acid, 7-[(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
  • Trovafloxacin (INN)
  • CS-0017509
  • 7-((1R,5S)-6-Amino-3-aza-bicyclo[3.1.0]hex-3-yl)-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
  • AKOS015909896
  • 7-[(1R,5S,6R)-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
  • C07664
  • D08654
  • trovafloxacinum
  • CP99219
  • 147059-72-1
  • DTXSID0041145
  • Q544393
  • 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
  • trovafloxacino
  • 1,8-Naphthyridine-3-carboxylic acid, 7-(6-amino-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, (1alpha,5alpha,6alpha)-
  • rel-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
  • EN300-7413614
  • AKOS000277872
  • 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
  • AC-36823
  • Z2587996506
  • TROVAFLOXACIN [VANDF]
  • CP-99,219
  • 7-[(1R,5S)-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
  • CHEMBL428
  • TROVAFLOXACIN [MI]
  • (1α,5α,6α)-7-(6-Amino-3-azabi-cyclo[3.1.0]hex-3-y1)-1-(2,4-difluomphenyl)-6-fluom-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
物化性质
实验特性
LogP 2.65980
PSA 101.45000
折射率 1.672
沸点 630.5ºC at 760mmHg
熔点 246ºC
闪点 335.1ºC
密度 1.612g/cm3
计算特性
精确分子量 416.11000
氢键供体数量 2
氢键受体数量 7
可旋转化学键数量 3
同位素质量 416.11
重原子数量 30
复杂度 770
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 99.8A^2
专业数据库参考
PubChemId 62959
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