119914-60-2 (格帕沙星,Grepafloxacin)

CAS号:
119914-60-2
中文名称:
格帕沙星
英文名称:
Grepafloxacin
分子式:
C19H22N3O3F
分子量:
359.39468
简介:
Grepafloxacin (OPC-17116) 是一种口服活性氟喹诺酮类抗生素 (antibiotic),对包括肺炎链球菌在内的社区获得性呼吸道病原体具有有效活性。Grepafloxacin 具有较高的组织渗透性和良好的药效学特性。

格帕沙星(119914-60-2)名称与标识符

名称

中文别名:
格帕沙星;1-环丙基-6-氟-7-(3-甲基-1-哌嗪基)-5-甲基-1,4-二氢-4-氧代喹啉-3-羧酸;1,6-二氢-4-羟基-2-甲基-6-氧代-1-苯基-3-吡啶羧酸乙酯;戈帕沙星;格里沙星;格雷沙星;
英文别名:
Grepafloxacin;1-Cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;dl-Grepafloxacin;1-cyclopropyl-5-methyl-6-fluoro-7-(3-methylpiperazin-1-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid;DA-73870;1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4,4a,8a-tetrahydro-quinoline-3-carboxylic acid (Grepafloxacin);DTXSID2048321;SCHEMBL34155;GTPL10818;BDBM50117924;DB00365;3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-;OPC 17116;Raxar;EN300-19766404;119914-60-2;1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid;GREPAFLOXACIN [VANDF];PC-17116;3-QUINOLINECARBOXYLIC ACID, 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-5-METHYL-7-(3-METHYL-1-PIPERAZINYL)-4-OXO-, (+/-)-;CCRIS 7284;PC 17116;Q414846;NCGC00167527-01;NS00002650;146863-02-7;OPC17116;GREPAFLOXACIN [MI];AKOS016013941;(+/-)-1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-5-METHYL-7-(3-METHYL-1-PIPERAZINYL)-4-OXO-3-QUINOLINECARBOXYLIC ACID;3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-;Grepafloxacin [INN:BAN];1-CYCLOPROPYL-6-FLUORO-5-METHYL-7-(3-METHYLPIPERAZIN-1-YL)-4-OXO-QUINO LINE-3-CARBOXYLIC ACID;CHEMBL583;1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylicacid;UNII-L1M1U2HC31;1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;HMS3713L05;1-Cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;SR-01000872592-1;1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;Grepafloxacin [INN];BCP23880;L1M1U2HC31;(+/-)-3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-;dl-Grepafloxacin Hydrochloride;HY-A0147;CS-0017472;GREPAFLOXACIN [WHO-DD];SR-01000872592;CHEBI:5543;RKL10071;Tomefloxacin; dl-Grepafloxacin;AIJTTZAVMXIJGM-UHFFFAOYSA-N;(+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid;1-Cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid Hydrochloride; Grepafloxacin Hydrochloride; Tomefloxacin Hydrochloride;

标识符

MDL:
MFCD00865116
InChIKey:
AIJTTZAVMXIJGM-UHFFFAOYSA-N
Inchi:
1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)
SMILES:
CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F

格帕沙星(119914-60-2)物化性质

实验特性

  • LogP : 2.67400
  • PSA : 74.57000
  • 沸点 : 610°Cat760mmHg
  • 熔点 : 189-192 ºC
  • 蒸气压 : No data available
  • 闪点 : 322.7°C
  • 颜色与性状 : No data avaiable
  • 密度 : 1.366

计算特性

  • 精确分子量 : 359.16500
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 359.16452
  • 重原子数量 : 26
  • 复杂度 : 636
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 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) : _0.2
  • 拓扑分子极性表面积 : 72.9

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