cas号： 23477-98-7 ，名称：西地霉素的性质/作用/用途-化学加百科

西地霉素

西地霉素基本信息
CAS号	23477-98-7	分子式	C27H35NO8
分子量	501.56900	精确质量	501.23600
PSA	136.07000	LogP	2.67940

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基本信息物化性质毒性结构与计算数据

基本信息展开↓

CAS号：: 23477-98-7
3D弹球模型：: 立即前往扯扯看
分子式：: C27H35NO8
分子量：: 501.56900
中文名称：: 西地霉素
英文名称：: [(4E,6E,10E,12E)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] acetate
中文别名：: 西地霉素
英文别名：: [(4E,6E,10E,12E)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] acetate;
Ro 23-0731/000;
Bundlin B;
Lankacidin C-14-acetat,Lankacidin A;
Sedecamicina [Spanish];
Lankacidin A;
Takelan;
Sedecamycinum [Latin];
Sedecamycin;
Antibiotic T-2636 A;
Lankacidin C 14-acetate;
Sedecamycine [French]
精确分子量/精确质量：: 501.23600
极性分子表面积/PSA：: 136.07000
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。
InChI：: The Key: LSNBAGMWJRMBEO-SYAXYYKCSA-N

物化性质展开↓

密度：: 1.22g/cm3
折射率：: 1.552

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UZ0800000

CHEMICAL NAME :: Pyruvamide, N-(7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-1 6-oxabicyclo(13.2.2) nonadeca-3,5,9,11-tetraen-2-yl)-, 13-acetate, (all-E)-(1S,2R,7S,13S,15R,19R)-(-)-

CAS REGISTRY NUMBER :: 23477-98-7

LAST UPDATED :: 199403

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C27-H35-N-O8

MOLECULAR WEIGHT :: 501.63

WISWESSER LINE NOTATION :: T6-17- A B AOV DV IU KU OU QUTJ C1 E1 HOV1 K1 NQ Q1 SMVV1

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 :: >10 gm/kg

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

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,229,1989

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

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

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 14,229,1989

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >10 gm/kg

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

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: 41,81,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6 gm/kg

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain Gastrointestinal - other changes Blood - changes in cell count (unspecified)

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 26,647,1973

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:2.2

2.氢键供体数量:2

3.氢键受体数量:8

4.可旋转化学键数量:4

5.互变异构体数量:8

6.拓扑分子极性表面积:136

7.重原子数量:36

8.表面电荷:0

9.复杂度:1040

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:6

13.确定化学键立构中心数量:4

14.不确定化学键立构中心数量:0

15.共价键单元数量:1