曲地碘铵
- 中文名称:
- 曲地碘铵
- 中文别名:
- 曲地碘铵
- 英文名称:
- Benzenepropanaminium, g-cyclohexyl-N,N,N-triethyl-g-hydroxy-, iodide (1:1)
- 英文别名:
- tridihexethyl iodide;
Tridihexethyl iodide;
Tridihexethyli iodidum;
Propethonum iodide;
Claviton;
triethyl-(3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-ammonium,iodide;
Ioduro de tridihexetilo;
Tridihexide;
Iodure de tridihexethyl;
Triaethyl-(3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-ammonium,Jodid;
Trihexethyl iodide;
Tridihexethide;
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium,iodide
- CAS No.:
- 125-99-5
- 分 子 式:
-
C21H36NO.I
- 分 子 量:
- 445.421
- 精确分子量:
- 445.18400
- PSA:
- 20.23000
- EINECS:
- 204-762-7
- InChI:
- The Key: VFEDLMLHAGASHB-UHFFFAOYSA-M3
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-

- SDS:
- 查看
曲地碘铵 毒理性
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
曲地碘铵 海关数据
中国海关编码:2923900090
- 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
- 摘要/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%
曲地碘铵 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):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