3,4-Pyrrolidinediol,2-[(4-methoxyphenyl)methyl]-, 3-acetate, (2R,3S,4S)-
- 中文别名：茴香霉素(链霉菌属)
- 中文释义：茴香霉素;naphthalene-2,3-dicarbonitrile;2,3-Dicyanonaphthalene;3-chloro-2-hydrazinyl-pyridine;3-chloro-2-hydrazylpyridine;PH Dane-acid;D-4-Hydroxyphenylglycine;D(-)4-P-hydroxyphenylglycine;(2R)-amino(4-hydroxyphenyl)ethanoic acid;(2R)-2-amino-2-phenyleth
- 英文别名：(-)-anisomycin;
2-p-methoxyphenylmethyl-3-acetoxy-4-hydroxypyrrolidine;
ANISOMYCIN,STREPTOMYCES GRISEOLUS;
Anisomycin from Streptomyces griseolus;
ANISOMYCIN FROM STREPTOMYCES GRISEOLUS;
FLAGECIDIN;
Anisomycin,(2R,3S,4S)-2-[(4-Methoxyphenyl)methyl]-3,4-pyrrolidinediol3-acetate;
antibioticpa-106;
(2R,3S,4S)-2-(4-Methoxybenzyl)-3,4-pyrrolidinediol 3-Acetate
- CAS No.：22862-76-6
- 分子式：C14H19NO4
- 分子量：265.30
- 精确分子量：265.13100
- PSA：67.79000
- MDL：MFCD00077650
- InChI：InChI=1/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/p+1/t12-,13+,14+/m1/s1
- 分子结构式：
物化性质
- 外观与性状：
- 白色结晶固体
- 密度：
- 1.21 g/cm3
- 熔点：
- 140-141ºC
- 沸点：
- 398.7ºC at 760 mmHg
- 闪点：
- 194.9ºC
- 蒸汽压：
- 0mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开存放
- 稳定性相关：
常温常压下稳定
避免接触强氧化剂- 其它信息：
1. 性状：长针状结晶。
2. 密度（g/mL,25/4℃）： 未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：140～141
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º，C＝1，甲醇中）：－30°
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：溶于水、低级醇、酯、酮和氯仿，微溶于苯、甲苯和己烷。室温时水溶液在很宽的pH范围内稳定。
安全信息
- 外观与性状：
- 白色结晶固体
- 密度：
- 1.21 g/cm3
- 熔点：
- 140-141ºC
- 沸点：
- 398.7ºC at 760 mmHg
- 闪点：
- 194.9ºC
- 蒸汽压：
- 0mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开存放
- 稳定性相关：
常温常压下稳定
避免接触强氧化剂- 其它信息：
1. 性状：长针状结晶。
2. 密度（g/mL,25/4℃）： 未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：140～141
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º，C＝1，甲醇中）：－30°
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：溶于水、低级醇、酯、酮和氯仿，微溶于苯、甲苯和己烷。室温时水溶液在很宽的pH范围内稳定。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- BZ9800000
- CHEMICAL NAME :
- Anisomycin
- CAS REGISTRY NUMBER :
- 22862-76-6
- BEILSTEIN REFERENCE NO. :
- 0020705
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 18
- MOLECULAR FORMULA :
- C14-H19-N-O4
- MOLECULAR WEIGHT :
- 265.34
- WISWESSER LINE NOTATION :
- T5MTJ B1R DO1& COV1 DQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 72 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 345 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 230 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 167 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 148 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 5,77,1981
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >300 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >100 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >100 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- >300 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- >50 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- >200 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 5,490,1955 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5265 No. of Facilities: 63 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 504 (estimated) No. of Female Employees: 420 (estimated)
- 毒理学数据：
- 生态数据：
海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：70.46
2、 摩尔体积（cm3/mol）：218.6
3、 等张比容(90.2K)：577.8
4、 表面张力(dyne/cm)：48.7
5、 极化率(10-24cm3)：27.93
计算化学数据
1、疏水参数计算参考值（XlogP）:0.9
2、氢键供体数量：2
3、氢键受体数量：5
4、可旋转化学键数量:5
5、互变异构体数量：
6、拓扑分子极性表面积（TPSA）:67.8
7、重原子数量：19
8、表面电荷：0
9、复杂度：302
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
