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125-99-5

125-99-5结构式
125-99-5结构式
  • 常用中文名:曲地碘铵
  • 常用英文名:tridihexethyl iodide
  • CAS号:125-99-5
  • 分子式:C21H36INO
  • 分子量:445.42100
  • 发布时间:2018-06-27 19:11:43
  • 更新时间:2024-01-11 13:40:54

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中文名 曲地碘铵
英文名 tridihexethyl iodide
英文别名 Ioduro de tridihexetilo
Tridihexide
EINECS 204-762-7
Claviton
triethyl-(3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-ammonium,iodide
Triaethyl-(3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-ammonium,Jodid
Tridihexethide
Iodure de tridihexethyl
Tridihexethyli iodidum
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium,iodide
Trihexethyl iodide
Tridihexethyl iodide
Propethonum iodide
分子式 C21H36INO
分子量 445.42100
精确质量 445.18400
PSA 20.23000
LogP 1.72510
计算化学

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:2

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:24

8.表面电荷:0

9.复杂度:319

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:1

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BP5775000
CHEMICAL NAME :
Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, iodide
CAS REGISTRY NUMBER :
125-99-5
LAST UPDATED :
198806
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C21-H36-N-O.I
MOLECULAR WEIGHT :
445.48
WISWESSER LINE NOTATION :
L6TJ AXQR&2K2&2&2 &Q &I

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 :
1100 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic
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: 137,250,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
27 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic
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: 137,250,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
570 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic
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: 137,250,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,84S,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,84S,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - ganglion blocker Autonomic Nervous System - parasympatholytic
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: 137,250,1962

海关编码 2923900090
海关编码 2923900090
中文概述 2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素 品名, 成分含量, 用途
Summary 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%