3-Quinolinecarboxylicacid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-
- 中文别名：培氟沙星
- 中文释义：培氟沙星;1-乙基-6-氟-1,4-二氢-7-(4-佳绩-哌嗪基)-4-氧代-3-喹啉羧酸;培氟哌酸;1-乙基-1,4-二氢-6-氟-7-(4-甲基-1-哌嗪)-4-氧代-3-喹啉羧酸;1-乙基-6-氟-7-(4-甲基哌嗪基)-4-氧代-1,4-二氢喹啉-3-羧酸
- 英文别名：1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;
Silver Pefloxacin;
Pefloxacinum;
PFLX;
Abactal;
Pefloxacine;
Labocton;
Pefloxacino;
Pefloxacin
- CAS No.：70458-92-3
- 分子式：
C17H20FN3O3
- 分子量：333.36
- 精确分子量：333.14900
- PSA：65.78000
- InChI：The Key: FHFYDNQZQSQIAI-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.32 g/cm3
- 沸点：
- 529.1ºC at 760 mmHg
- 闪点：
- 273.8ºC
- 折射率：
- 1.593
- 蒸汽压：
- 5.05E-12mmHg at 25°C
- 其它信息：
1.性状：类白色晶体。
2.熔点（ºC）：270--272
3.溶解性：溶于碱性和酸性溶液，微溶于水。
安全信息
- 密度：
- 1.32 g/cm3
- 沸点：
- 529.1ºC at 760 mmHg
- 闪点：
- 273.8ºC
- 折射率：
- 1.593
- 蒸汽压：
- 5.05E-12mmHg at 25°C
- 其它信息：
1.性状：类白色晶体。
2.熔点（ºC）：270--272
3.溶解性：溶于碱性和酸性溶液，微溶于水。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VB2002000
- CHEMICAL NAME :
- 3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-7-(4-methyl-1-piperaziny l)-4-oxo-
- CAS REGISTRY NUMBER :
- 70458-92-3
- BEILSTEIN REFERENCE NO. :
- 0567618
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C17-H20-F-N3-O3
- MOLECULAR WEIGHT :
- 333.40
- WISWESSER LINE NOTATION :
- T66 BN VVJ B2 DVQ HF I- AT6N DNTJ D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 1714 mg/kg/21W-I
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - paresthesis Peripheral Nerve and Sensation - structural change in nerve or sheath
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 343 mg/kg/30D-I
- TOXIC EFFECTS :
- Musculoskeletal - joints Musculoskeletal - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 16 mg/kg
- TOXIC EFFECTS :
- Behavioral - hallucinations, distorted perceptions Behavioral - muscle contraction or spasticity
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >4 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 225 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 7500 mg/kg/30D-C
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - other changes in urine composition Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 30 gm/kg
- SEX/DURATION :
- male 30 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
MUTATION DATA
- TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Rodent - rat Liver
- DOSE/DURATION :
- 780 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 221,263,1989
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：85.63
2、 摩尔体积（cm3/mol）：252.4
3、 等张比容（90.2K）：679.3
4、 表面张力（dyne/cm）：52.4
5、 极化率（10-24cm3）：33.94
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:1
3.氢键受体数量:7
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64.1
7.重原子数量:24
8.表面电荷:0
9.复杂度:545
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:0
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
