cas号： 16846-24-5 ，名称：交沙霉素的性质/作用/用途-化学加百科

交沙霉素

交沙霉素基本信息
CAS号	16846-24-5	分子式	C42H69NO15
分子量	827.99500	精确质量	827.46700
PSA	206.05000	LogP	3.01340

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等价的CAS号：

16846-24-5,54274-45-2

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基本信息物化性质安全信息毒性结构与计算数据

基本信息展开↓

CAS号：: 16846-24-5
3D弹球模型：: 立即前往扯扯看
分子式：: C42H69NO15
分子量：: 827.99500
中文名称：: 交沙霉素
英文名称：: josamycin
中文别名：: 交沙霉素;
角沙霉素
英文别名：: josamycin;
Josamina;
Wilprafen;
leucomycin A3;
Vilprafen;
YL-704A3;
Josacine;
JOSAMYCIN;
carbomycin B;
Leucomycin A3;
Iosalide;
Jomybel;
EN 141
精确分子量/精确质量：: 827.46700
极性分子表面积/PSA：: 206.05000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：: MFCD00211043
EINECS：: 240-871-6
PubChem：: 24881768
InChI：: InChI=1/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3

物化性质展开↓

密度：: 1.2g/cm3
沸点：: 877.8ºC at 760mmHg
闪点：: 484.7ºC
折射率：: 1.534
蒸汽压：: 0mmHg at 25°C
其它信息：: 1. 性状：未确定

2. 密度（g/mL,25/4℃）：1.133 g/mL at 25 °C(lit.)
3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：未确定

5. 沸点（ºC,常压）：151-152 °C762 mm Hg(lit.)

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率： n20/D 1.528(lit.)
8. 闪点（ºC）： 110 °F
9. 比旋光度（º）：未确定

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：未确定

安全信息展开↓

WGK_Germany：: 2
德国有关水污染物质的分类清单
RTECS号：: OH4725810

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OH4725810

CHEMICAL NAME :: Leucomycin V, 3-acetate 4(sup B)-(3-methylbutanoate)

CAS REGISTRY NUMBER :: 16846-24-5

LAST UPDATED :: 199603

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C42-H69-N-O15

MOLECULAR WEIGHT :: 828.12

WISWESSER LINE NOTATION :: T-16-OV KU MUTJ DOV1 EO1 G1VH I1 JQ P1 FO- BT6OTJ CQ DN1&1 F1 EO- FT6OTJ B1 COV1Y1&1 DQ D1

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 :: >7 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,364,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,364,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,364,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 390 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIPDAD Nihon Daigaku No-juigakubu Gakujutsu Kenkyu Hokoku. Research Reports of the College of Agriculture and Veterinary Medicine, Nihon University. (Nihon Daigaku Nojuigakkai, 34-1 Shimouma, 3-chome, Setagaya-ku, Tokyo 154, Japan) No.1- 1953- Volume(issue)/page/year: (35),41,1978

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 37,1565,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 780 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: 2,85,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,364,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 385 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIPDAD Nihon Daigaku No-juigakubu Gakujutsu Kenkyu Hokoku. Research Reports of the College of Agriculture and Veterinary Medicine, Nihon University. (Nihon Daigaku Nojuigakkai, 34-1 Shimouma, 3-chome, Setagaya-ku, Tokyo 154, Japan) No.1- 1953- Volume(issue)/page/year: (35),41,1978

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 520 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: HINAAU Hindustan Antibiotics Bulletin. (Hindustan Antibiotics, Ltd., Pimpri, Poona, India) V.1- 1958- Volume(issue)/page/year: 11,26,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 786 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: HINAAU Hindustan Antibiotics Bulletin. (Hindustan Antibiotics, Ltd., Pimpri, Poona, India) V.1- 1958- Volume(issue)/page/year: 11,26,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 385 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: HINAAU Hindustan Antibiotics Bulletin. (Hindustan Antibiotics, Ltd., Pimpri, Poona, India) V.1- 1958- Volume(issue)/page/year: 11,26,1969 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9 gm/kg/5W-I

TOXIC EFFECTS :: Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

REFERENCE :: JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 22,219,1969 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 21 gm/kg

SEX/DURATION :: female 7-13 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

REFERENCE :: JJANAX Japanese Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo 141, Japan) V.21- 1968- Volume(issue)/page/year: 22,219,1969

毒理学数据：

急性毒性：小鼠口经LD50： >7 gm/kg；大鼠LD50：6400mg/kg

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：212.98

2、摩尔体积（m³/mol）：684.5

3、等张比容（90.2K）：1827.6

4、表面张力（3.0 dyne/cm）：50.8

5、极化率（0.5 10^-24cm³）：84.43

计算化学数据

1、疏水参数计算参考值（XlogP）:2.9

2、氢键供体数量：3

3、氢键受体数量：16

4、可旋转化学键数量: 14

5、互变异构体数量：2

6、拓扑分子极性表面积（T6PSA）:206

7、重原子数量：58

8、表面电荷：0

9、复杂度:1390

10、同位素原子数量：0

11、确定原子立构中心数量：16

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：2

14、不确定化学键立构中心数量：0

15、共价键单元数量：1