乙酰氯霉素
- 中文名称:
- 乙酰氯霉素
- 中文别名:
- 乙酰氯霉素
- 英文名称:
- Acetamide,N-[(1R,2R)-2-(4-acetylphenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloro-
- 英文别名:
- N-[1-(4-acetylphenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide;
Cetofenicol;
CETOPHENICOL;
Acetylchloramphenicol;
D-Threoacetomycetin;
Acetamide,2-dichloro-,D-threo;
W 3746
- CAS No.:
- 735-52-4
- 分 子 式:
-
C13H15Cl2NO4
- 分 子 量:
- 320.171
- 精确分子量:
- 319.03800
- PSA:
- 86.63000
- InChI:
- The Key: PKUBDVAOXLEWBF-QWRGUYRKSA-N3
- 分子结构式:
-

- SDS:
- 查看
乙酰氯霉素 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AB4200000
- CHEMICAL NAME :
- Acetamide,
N-(p-acetyl-beta-hydroxy-alpha-(hydroxymethyl)pheneth
yl)-2,2-dichloro-, D-threo-
- CAS REGISTRY NUMBER :
- 735-52-4
- LAST UPDATED :
- 199106
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H15-Cl2-N-O4
- MOLECULAR WEIGHT :
- 320.19
- WISWESSER LINE NOTATION :
- GYGVMY1QYQR DV1 -D -THREO
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 :
- 1097 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
18,185,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 10,888,1967
乙酰氯霉素 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):无
2.氢键供体数量:3
3.氢键受体数量:4
4.可旋转化学键数量:6
5.互变异构体数量:4
6.拓扑分子极性表面积:86.6
7.重原子数量:20
8.表面电荷:0
9.复杂度:343
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:2
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