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 安全信息

海关代码:
2933399090

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

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