西地霉素
- 中文名称：
- 西地霉素
- 中文别名：
- 西地霉素
- 英文名称：
- Propanamide,N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-13-(acetyloxy)-7-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxo-,(2S)-
- 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]
- CAS No.：
- 23477-98-7
- 分 子 式：
-
C27H35NO8
- 分 子 量：
- 0
- 精确分子量：
- 501.23600
- PSA：
- 136.07000
- InChI：
- The Key: LSNBAGMWJRMBEO-SYAXYYKCSA-N3
- 分子结构式：
-
- SDS：
- 查看
西地霉素 物化性质
- 密度：
- 1.22g/cm3
- 折射率：
- 1.552
西地霉素 毒理性
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
西地霉素 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）: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
