产品供求
丙碘酮
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
丙碘酮 基本信息
- 中文名称:
- 丙碘酮
- 中文别名:
- 丙碘酮
- 英文名称:
- Propyliodone
- 英文别名:
- propyl 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate;
3,5-Diiodo-4-pyridone-N-acetic acid propyl ester;
propyliodone;
Bronchodiagnostin;
Bronkhodiagnostin;
Dionosil;
Propiodone;
Diostril;
Brosombra
- CAS No.:
- 587-61-1
- 分 子 式:
- C16H26O
- 分 子 量:
- 234.37704
- 精确分子量:
- 446.88300
- PSA:
- 48.30000
- EINECS:
- 209-603-5
- InChI:
- The Key: ROSXARVHJNYYDO-UHFFFAOYSA-N
- 分子结构式:
-
- SDS:
- 查看
丙碘酮 物化性质
- 密度:
- 2.14g/cm3
- 沸点:
- 392.6ºC at 760mmHg
- 闪点:
- 191.2ºC
- 折射率:
- 1.663
丙碘酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UR8925000
- CHEMICAL NAME :
- 1(4H)-Pyridineacetic acid, 3,5-diiodo-4-oxo-, propyl
ester
- CAS REGISTRY NUMBER :
- 587-61-1
- BEILSTEIN REFERENCE NO. :
- 0206829
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H11-I2-N-O3
- MOLECULAR WEIGHT :
- 447.02
- WISWESSER LINE NOTATION :
- T6N DVJ A1VO3 CI EI
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >18 gm/kg
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK)
V.1-33, 1946-68. For publisher information, see BJPCBM.
Volume(issue)/page/year: 8,166,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Vascular - acute arterial occlusion
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK)
V.1-33, 1946-68. For publisher information, see BJPCBM.
Volume(issue)/page/year: 8,166,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka
Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959-
Volume(issue)/page/year: 26,921,1984
丙碘酮 海关数据
中国海关编码:2933399090
- 概述:
- 2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
- 摘要/Summary:
- 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
丙碘酮 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):2.4
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:5
5.互变异构体数量:无
6.拓扑分子极性表面积:46.6
7.重原子数量:16
8.表面电荷:0
9.复杂度:341
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