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双香豆乙酯
- 基本信息
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
双香豆乙酯 基本信息
- 中文名称：
- 双香豆乙酯
- 中文别名：
- 双香豆乙酯
- 英文名称：
- Ethyl Biscoumacetate
- 英文别名：
- ethyl 2,2-bis(4-hydroxy-2-oxochromen-3-yl)acetate;
Neodicoumarin;
Trombil;
Trombolysan;
Ethylbiscum-acetat;
Tromexan;
Neodicumarinum;
Bisoxycumarin-essigsaeureethylester;
Pelentan;
Neodicoumarol;
Trombarin;
Neodicumarol;
ETHYL BISCOUMACETATE;
Ethylbiscoumacetat
- CAS No.：
- 548-00-5
- 分 子 式：
- C22H16O8
- 分 子 量：
- 0
- 精确分子量：
- 408.08500
- PSA：
- 127.18000
- EINECS：
- 208-940-5
- InChI：
- The Key: JCLHQFUTFHUXNN-UHFFFAOYSA-N
- 分子结构式：
-
- SDS：
- 查看
双香豆乙酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AF5775000
- CHEMICAL NAME :
- Acetic acid,
bis(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-, ethyl
ester
- CAS REGISTRY NUMBER :
- 548-00-5
- LAST UPDATED :
- 199609
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C22-H16-O8
- MOLECULAR WEIGHT :
- 408.38
- WISWESSER LINE NOTATION :
- T66 BOVJ EQ DYVO2&- DT66 BOVJ EQ
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 :
- 840 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for
Experimental Biology. (Bethesda, MD) V.1-46, 1942-87.
Volume(issue)/page/year: 10,303,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 260 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle contraction or spasticity
Cardiac - change in force of contraction
Lungs, Thorax, or Respiration - cyanosis
- 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: 87,402,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher
information, see NSAPCC. Volume(issue)/page/year: 222,107,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 260 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for
Experimental Biology. (Bethesda, MD) V.1-46, 1942-87.
Volume(issue)/page/year: 10,303,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823-
Volume(issue)/page/year: 2,611,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher
information, see NSAPCC. Volume(issue)/page/year: 222,107,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 170 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FEPRA7 Federation Proceedings, Federation of American Societies for
Experimental Biology. (Bethesda, MD) V.1-46, 1942-87.
Volume(issue)/page/year: 10,303,1951
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 48 mg/kg
- SEX/DURATION :
- female 36-37 week(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
Reproductive - Effects on Newborn - stillbirth
Reproductive - Effects on Newborn - other neonatal measures or effects
- REFERENCE :
- BMJOAE British Medical Journal. (British Medical Assoc., BMA House,
Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year:
2,719,1955
双香豆乙酯 海关数据
中国海关编码：2932209090
- 概述：
- 2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
双香豆乙酯 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）:2.5
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:5
5.互变异构体数量:6
6.拓扑分子极性表面积:119
7.重原子数量:30
8.表面电荷:0
9.复杂度:752
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
