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50-47-5

50-47-5结构式

常用中文名：盐酸去甲咪嗪
常用英文名：Desipramine hydrochloride
CAS号：50-47-5
分子式：C₁₈H₂₂N₂
分子量：266.38100
相关类别：原料药神经系统用药抗抑郁、躁狂药
发布时间：2018-04-23 08:00:00
更新时间：2024-01-02 20:13:38
为抗抑郁药，有阻滞草胺类神经介质如去甲肾上腺素或5-羟色胺回收的作用。用于治疗各种抑郁症。

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中文名	地昔帕明
英文名	desipramine
中文别名	3-(10,11-二氢-5H-二苯并[B,F]氮杂卓-5-基)-N-甲基丙-1-胺去甲丙咪嗪
英文别名	Desipramin Demethylimipramine Desipramine 10,11-dihydro-5-[3-(methylamino)propyl]-5H-dibenz(b,f)azepin Monodemethylimipramine Norimipramine 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine Desimipramine 5-(3-methylaminopropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine [3H]-Desipramine [14C]-Desipramine Desmethylimipramine Pertofrane Dimethylimipramine Dezipramine EINECS 200-040-0

描述	地昔帕明是一种三环类抗抑郁药。地昔帕明抑制中枢神经系统中的去甲肾上腺素再摄取受体,减少与睡眠相关的颏舌肌活动丧失,并改善咽塌陷[1][2]。
相关类别	信号通路 >> G 蛋白偶联受体/G 蛋白 >> 肾上腺素能受体研究领域 >> 神经疾病
靶点	Norepinephrine Reuptake Receptor[1]
参考文献	[1]. Garcia AS, et al. Autoreceptor-mediated inhibition of norepinephrine release in rat medial prefrontal cortex is maintained after chronic desipramine treatment. J Neurochem. 2004 Nov;91(3):683-93. [2]. Taranto-Montemurro L, et al. Desipramine improves upper airway collapsibility and reduces OSA severity in patients with minimal muscle compensation. Eur Respir J. 2016 Nov;48(5):1340-1350.

密度	1.047 g/cm3
沸点	407.4ºC at 760 mmHg
熔点	212°C
分子式	C₁₈H₂₂N₂
分子量	266.38100
闪点	160.5ºC
精确质量	266.17800
PSA	15.27000
LogP	3.98870
折射率	1.5200 (estimate)
储存条件	本品应密封阴凉保存。
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:4 5.互变异构体数量:无 6.拓扑分子极性表面积15.3 7.重原子数量:20 8.表面电荷:0 9.复杂度:267 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
更多	1. 性状：白色结晶粉末 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：未确定 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC, 2.67Pa）：172～174 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25 ºC）：未确定 12. 饱和蒸气压（kPa,60 ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：3.7 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HO0350000

CHEMICAL NAME :: 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(methylamino)propyl)-

CAS REGISTRY NUMBER :: 50-47-5

BEILSTEIN REFERENCE NO. :: 1432747

LAST UPDATED :: 199706

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C18-H22-N2

MOLECULAR WEIGHT :: 266.42

WISWESSER LINE NOTATION :: T C676 BN&T&J B3M1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 1643 mg/kg/1Y-I

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Cardiac - pulse rate increase, without fall in BP Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 30 mg/kg

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - child

DOSE/DURATION :: 125 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - coma Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 30 mg/kg

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Behavioral - coma Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 375 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 48 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 183 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 29 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 448 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 85 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 214 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 22 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 12 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 500 mg/kg

SEX/DURATION :: female 7-16 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 16250 ug/kg

SEX/DURATION :: female 8-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

MUTATION DATA

TEST SYSTEM :: Insect - not otherwise specified

DOSE/DURATION :: 10 gm/L

REFERENCE :: JCLBA3 Journal of Cell Biology. (Rockefeller Univ. Press, 1230 York Ave., New York, NY 10003) V.12- 1962- Volume(issue)/page/year: 47,182a,1970 *** REVIEWS *** TOXICOLOGY REVIEW DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 8,690,1974

危害码 (欧洲)	Xn: Harmful;
风险声明 (欧洲)	R20/21/22
安全声明 (欧洲)	36
WGK德国	3
海关编码	2933990090

上游产品 9
50-49-7 113-52-0 58-28-6 51018-29-2
123618-06-4 102339-76-4 65100-48-3 19009-26-8
81256-33-9
下游产品 5
50-49-7 1066-35-9 23047-25-8 2095-95-6
5227-91-8

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%