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环己西林 基本信息
- 中文名称：
- 环己西林
- 中文别名：
- 环己西林;
环青霉素
- 英文名称：
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(1-aminocyclohexyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
- 英文别名：
- cyclacillin;
6-(1-aminocyclohexanecarboxamido)penicillanic acid;
Vastcillin;
Ultracillin;
Cyclapen;
CYCLACILLIN;
(2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
Citosarin;
Ciclacillin;
Bastcillin;
Calthor;
Vipicil;
Syngacillin
- CAS No.：
- 3485-14-1
- 分 子 式：
- C15H23N3O4S
- 分 子 量：
- 341.42582
- 精确分子量：
- 341.14100
- PSA：
- 138.03000
- EINECS：
- 222-470-8
- InChI：
- The Key: HGBLNBBNRORJKI-WCABBAIRSA-N
- 分子结构式：
-
- SDS：
- 查看
环己西林 物化性质
- 密度：
- 1.4g/cm3
- 沸点：
- 649.6ºC at 760mmHg
- 折射率：
- 1.631
环己西林 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GT8450000
- CHEMICAL NAME :
- Cyclacillin
- CAS REGISTRY NUMBER :
- 3485-14-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C15-H23-N3-O4-S
- MOLECULAR WEIGHT :
- 341.47
- WISWESSER LINE NOTATION :
- T45 ANV ESTJ F1 F1 GVQ CMV- AL6TJ AZ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 210 mg/kg/7D-I
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea
Gastrointestinal - other changes
Skin and Appendages - dermatitis, other (after systemic exposure)
- REFERENCE :
- CHTHBK Chemotherapy (Basel). (S. Karger Pub., Inc., 79 Fifth Ave., New
York, NY 10003) V.13- 1968- Volume(issue)/page/year: 22,154,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5010 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- REFERENCE :
- CHTHBK Chemotherapy (Basel). (S. Karger Pub., Inc., 79 Fifth Ave., New
York, NY 10003) V.13- 1968- Volume(issue)/page/year: 22,154,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5010 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- REFERENCE :
- CHTHBK Chemotherapy (Basel). (S. Karger Pub., Inc., 79 Fifth Ave., New
York, NY 10003) V.13- 1968- Volume(issue)/page/year: 22,154,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6500 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - somnolence (general depressed activity)
- REFERENCE :
- TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories.
(Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532,
Japan) V.29- 1970- Volume(issue)/page/year: 29,117,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5010 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- REFERENCE :
- CHTHBK Chemotherapy (Basel). (S. Karger Pub., Inc., 79 Fifth Ave., New
York, NY 10003) V.13- 1968- Volume(issue)/page/year: 22,154,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3776 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- REFERENCE :
- CHTHBK Chemotherapy (Basel). (S. Karger Pub., Inc., 79 Fifth Ave., New
York, NY 10003) V.13- 1968- Volume(issue)/page/year: 22,154,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7500 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - somnolence (general depressed activity)
- REFERENCE :
- TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories.
(Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532,
Japan) V.29- 1970- Volume(issue)/page/year: 29,117,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- REFERENCE :
- CHTHBK Chemotherapy (Basel). (S. Karger Pub., Inc., 79 Fifth Ave., New
York, NY 10003) V.13- 1968- Volume(issue)/page/year: 22,154,1976
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 87 gm/kg/26W-C
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
acute tubular necrosis)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
29,1,1974
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 108 gm/kg/30D-C
- TOXIC EFFECTS :
- Behavioral - food intake (animal)
Kidney, Ureter, Bladder - changes in bladder weight
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories.
(Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532,
Japan) V.29- 1970- Volume(issue)/page/year: 29,117,1970
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - X9351
No. of Facilities: 25 (estimated)
No. of Industries: 1
No. of Occupations: 1
No. of Employees: 101 (estimated)
No. of Female Employees: 51 (estimated)
环己西林 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:3
3.氢键受体数量:6
4.可旋转化学键数量:3
5.互变异构体数量:4
6.拓扑分子极性表面积:138
7.重原子数量:23
8.表面电荷:0
9.复杂度:559
10.同位素原子数量:0
11.确定原子立构中心数量:3
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
