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50-47-5

50-47-5结构式
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
  • 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]。

化源商城直购

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
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

由二苯并氮杂卓为原料制得。

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%