- 中文别名：依利醋铵
- 中文释义：依利醋铵
- 英文别名：2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol,acetate;
ELLIPTINIUM ACETATE;
Ellipticine acetomethylate;
9-hydroxy-2-methylellipticinium acetate;
elliptinium;
Elliptinii acetas [INN-Latin];
EINECS 261-216-0;
Acetato de eliptinio [INN-Spanish];
Acetate d'elliptinium [INN-French];
Celiptium;
9-hydroxy-N-2-methylellipticinium acetate;
Elliptinium acetate [INN:BAN];
N2-Methylhydroxyellipticinium acetate;
N2-methyl-9-hydroxyellipticinium acetate - cas No.：58337-35-2
- 分子式：
C20H20N2O3
- 分子量：336.3844
- 精确分子量：336.14700
- PSA：80.03000
- InChI：The Key: BOMZMNZEXMAQQW-UHFFFAOYSA-N
- 分子结构式：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UU8875500
- CHEMICAL NAME :
- 6H-Pyrido(4,3-b)carbazolium, 9-hydroxy-2,5,11-trimethyl-, acetate
- CAS REGISTRY NUMBER :
- 58337-35-2
- LAST UPDATED :
- 199609
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C18-H17-N2-O.C2-H3-O2
- MOLECULAR WEIGHT :
- 336.42
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 33 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10200 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 40 mg/kg/8W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 10 mg/kg
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 89,281,1987
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:2
3.氢键受体数量:3
4.可旋转化学键数量:0
5.互变异构体数量:71
6.拓扑分子极性表面积:80
7.重原子数量:25
8.表面电荷:0
9.复杂度:426
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: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:2