3-Quinolinecarboxylicacid,1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
- 中文别名：替马沙星
- 中文释义：替马沙星;1-(2,4-二氟苯基)-6-氟-1,4-二氢-7-(3-甲基-1-哌嗪基)-4-氧-3-喹啉羧酸
- 英文别名：1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;
[14C]-Temafloxacin;
Temafloxacina [Spanish];
1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;
Temafloxacina;
1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(3-methyl-1-piperazinyl)-quinoline-3-carboxylic acid;
Omniflox;
Temafloxacinum [Latin];
Temafloxacine;
1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxoquinoline-3-carboxylic acid;
Temafloxacinum;
Temafloxacine [French];
Temafloxacin
- CAS No.：108319-06-8
- 分子式：C21H18F3N3O3
- 分子量：417.38
- 精确分子量：417.13000
- PSA：74.57000
- InChI：The Key: QKDHBVNJCZBTMR-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.427g/cm3
- 沸点：
- 608.9ºC at 760mmHg
- 闪点：
- 322.1ºC
- 折射率：
- 1.603
- 蒸汽压：
- 1.11E-15mmHg at 25°C
安全信息
- 密度：
- 1.427g/cm3
- 沸点：
- 608.9ºC at 760mmHg
- 闪点：
- 322.1ºC
- 折射率：
- 1.603
- 蒸汽压：
- 1.11E-15mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VB1999065
- CHEMICAL NAME :
- 3-Quinolinecarboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-7- (3-methyl-1-piperazinyl)-4-oxo-
- CAS REGISTRY NUMBER :
- 108319-06-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C21-H18-F3-N3-O3
- MOLECULAR WEIGHT :
- 417.42
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 36400 mg/kg/26W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes in urine composition Nutritional and Gross Metabolic - weight loss or decreased weight gain Nutritional and Gross Metabolic - changes in sodium
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 18200 mg/kg/26W-I
- TOXIC EFFECTS :
- Cardiac - EKG changes not diagnostic of specified effects Musculoskeletal - joints Nutritional and Gross Metabolic - weight loss or decreased weight gain
MUTATION DATA
- TYPE OF TEST :
- DNA repair
- TEST SYSTEM :
- Bacteria - Bacillus subtilis
- DOSE/DURATION :
- 20 mg/L
- REFERENCE :
- AMACCQ Antimicrobial Agents and Chemotherapy. (American Soc. for Microbiology, 1913 I St., NW, Washington, DC 20006) V.1- 1972- Volume(issue)/page/year: 37,213,1993
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:2
3.氢键受体数量:9
4.可旋转化学键数量:3
5.互变异构体数量:无
6.拓扑分子极性表面积:72.9
7.重原子数量:30
8.表面电荷:0
9.复杂度:721
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
