氟司喹南
- 中文名称：
- 氟司喹南
- 中文别名：
- 氟司喹南;
7-氟-1-甲基-3-(甲基亚磺酰基)-4(1H)喹诺酮
- 英文名称：
- 4(1H)-Quinolinone,7-fluoro-1-methyl-3-(methylsulfinyl)-
- 英文别名：
- 7-fluoro-1-methyl-3-methylsulfinylquinolin-4-one;
7-fluoro-1-methyl-3-methylsulphinyl-4-quinolone;
Manoplax;
FLOSEQUINAN;
7-Fluoro-1-methyl-3-(methylsulfinyl)quinolin-4(1H)-one;
7-fluoro-1-methyl-3-methylsulfinyl-4-quinolone;
[7-Fluoro-1-methyl-3-(methylsulfinyl)-4(1H)-quinolone];
4(1H)-Quinolinone,7-fluoro-1-methyl-3-(methylsulfinyl);
Flosequinan (USAN/INN)
- CAS No.：
- 76568-02-0
- 分 子 式：
-
C11H10FNO2S
- 分 子 量：
- 239.27
- 精确分子量：
- 239.04200
- PSA：
- 58.28000
- InChI：
- The Key: UYGONJYYUKVHDD-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
氟司喹南 物化性质
- 密度：
- 1.44g/cm3
- 沸点：
- 423.1ºC at 760 mmHg
- 闪点：
- 209.7ºC
- 折射率：
- 1.654
氟司喹南 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VC8292500
- CHEMICAL NAME :
- 4(1H)-Quinolinone,
7-fluoro-1-methyl-3-(methylsulfinyl)-, (+-)-
- CAS REGISTRY NUMBER :
- 76568-02-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C11-H10-F-N-O2-S
- MOLECULAR WEIGHT :
- 239.28
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation
Behavioral - somnolence (general depressed activity)
Skin and Appendages - hair
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >250 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Gastrointestinal - nausea or vomiting
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- >1200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Gastrointestinal - changes in structure or function of salivary glands
Gastrointestinal - nausea or vomiting
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1260 mg/kg/4W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight
Kidney, Ureter, Bladder - urine volume increased
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - transaminases
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4095 mg/kg/26W-I
- TOXIC EFFECTS :
- Liver - fatty liver degeneration
Nutritional and Gross Metabolic - changes in sodium
Related to Chronic Data - changes in testicular weight
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18200 mg/kg/52W-I
- TOXIC EFFECTS :
- Gastrointestinal - changes in structure or function of salivary glands
Blood - normocytic anemia
Biochemical - Metabolism (Intermediary) - other proteins
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 2800 mg/kg/4W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight
Endocrine - changes in adrenal weight
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 18200 mg/kg/26W-I
- TOXIC EFFECTS :
- Liver - fatty liver degeneration
Kidney, Ureter, Bladder - changes in bladder weight
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - transaminases
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 8190 mg/kg/52W-I
- TOXIC EFFECTS :
- Cardiac - EKG changes not diagnostic of specified effects
Liver - fatty liver degeneration
Biochemical - Metabolism (Intermediary) - other proteins
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1100 mg/kg
- SEX/DURATION :
- female 7-17 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2200 mg/kg
- SEX/DURATION :
- female 17-21 day(s) after conception
lactating female 21 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
per # born alive)
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
gain)
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,2047,1993
氟司喹南 海关数据
中国海关编码：2933499090
- 概述：
- 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
- 摘要/Summary：
- 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
氟司喹南 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：60.51
2、 摩尔体积（cm3/mol）：165.0
3、 等张比容（90.2K）：468.3
4、 表面张力（dyne/cm）：64.7
5、 极化率（10-24cm3）：23.99
计算化学数据
1.疏水参数计算参考值（XlogP）:1.1
2.氢键供体数量:0
3.氢键受体数量:5
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积56.6
7.重原子数量:16
8.表面电荷:0
9.复杂度:369
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
