6,11-二氢-11-氧二苯并[b,e]氧杂卓-2-乙酸 基本信息 | |||
---|---|---|---|
CAS号 | 55453-87-7 | 分子式 | C16H12O4 |
分子量 | 268.26400 | 精确质量 | 268.07400 |
PSA | 63.60000 | LogP | 2.43710 |
CHEMICAL IDENTIFICATION
RTECS NUMBER :HQ4110000
CHEMICAL NAME :Dibenz(b,e)oxepin-2-acetic acid, 6,11-dihydro-11-oxo-
CAS REGISTRY NUMBER :55453-87-7
BEILSTEIN REFERENCE NO. :1320243
LAST UPDATED :199612
DATA ITEMS CITED :4
MOLECULAR FORMULA :C16-H12-O4
MOLECULAR WEIGHT :268.28
WISWESSER LINE NOTATION :T C676 BV IO JHJ E1VQ
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 :143 mg/kg
TOXIC EFFECTS :Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine
REFERENCE :AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :500 mg/kg
TOXIC EFFECTS :Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine
REFERENCE :AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Intraperitoneal
SPECIES OBSERVED :Rodent - mouse
DOSE/DURATION :240 mg/kg
TOXIC EFFECTS :Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine
REFERENCE :AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977
TYPE OF TEST :LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :Oral
SPECIES OBSERVED :Rodent - rabbit
DOSE/DURATION :160 mg/kg
TOXIC EFFECTS :Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine
REFERENCE :AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 227,142,1977
1.疏水参数计算参考值(XlogP):无
2.氢键供体数量:1
3.氢键受体数量:4
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积:63.6
7.重原子数量:20
8.表面电荷:0
9.复杂度:392
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:1
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