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61869-08-7生产厂家

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61869-08-7

61869-08-7结构式
61869-08-7结构式
  • 常用中文名:帕罗西汀
  • 常用英文名:Paroxetine
  • CAS号:61869-08-7
  • 分子式:C19H20FNO3
  • 分子量:329.365
  • 相关类别: 原料药 神经系统用药 抗抑郁、躁狂药
  • 发布时间:2018-02-05 08:00:00
  • 更新时间:2024-01-02 16:11:23
  • 帕罗西汀是一种苯基哌啶衍生物,是一种有效的选择性血清素再摄取抑制剂(SSRI)。帕罗西汀是一种非常弱的去甲肾上腺素(NE)摄取抑制剂,但在这个部位,它仍然比其他SSRIs更有效[1]。

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中文名 帕罗西汀
英文名 paroxetine
中文别名 反-(-)-3-[(1,3-苯并二噁茂-5-基-氧)甲基]-4-(4-氟苯基)哌啶
(-)-反式-4-(4-氟苯基)-3-{[(3',4'-亚甲二氧基)苯氧基]甲基}-哌啶
帕罗昔丁
英文别名 Paroxetine
trans-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S-trans)-
(-)-trans-4-(p-Fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]piperidine
BRL 29060A
(3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine
PAROXETIN HCL
(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
aropax
PAROXETIENE BASE
(-)-Paroxetine
FG 7051
Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans)-
MFCD00869588
Paroxetine (USP)
AROPAX 20
PARORETINE HCL
Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-
Paxil
描述 帕罗西汀是一种苯基哌啶衍生物,是一种有效的选择性血清素再摄取抑制剂(SSRI)。帕罗西汀是一种非常弱的去甲肾上腺素(NE)摄取抑制剂,但在这个部位,它仍然比其他SSRIs更有效[1]。
相关类别
参考文献

[1]. M Bourin, et al. Paroxetine: a review. CNS Drug Rev. Spring 2001;7(1):25-47

密度 1.2±0.1 g/cm3
沸点 451.7±45.0 °C at 760 mmHg
熔点 114-116°C
分子式 C19H20FNO3
分子量 329.365
闪点 227.0±28.7 °C
精确质量 329.142731
PSA 39.72000
LogP 3.89
外观性状 白色至灰白色粉末
蒸汽压 0.0±1.1 mmHg at 25°C
折射率 1.561
储存条件 2-8℃,避光,惰性气体
稳定性

盐酸帕罗西汀(Paroxetine Hydroehloride):C19H20FNO3.HCI。微小片状结晶,熔点118℃。
盐酸帕罗西汀半水合物(Paroxetine Hydrochloride Hemihydrate):C19H20FN03.HCI.1/2H2O。结晶,熔点129~131℃。
马来酸帕罗西汀(Paroxetine Maleate):C19H20FNO3.C4H4O4。从乙醇-乙醚结晶,熔点136~138℃。[α]D-87°(C=5,乙醇)。急性毒性LD50小鼠(mg/kg):845皮下注射,500口服。

分子结构

1、 摩尔折射率:87.94

2、 摩尔体积(cm3/mol):271.5

3、 等张比容(90.2K):705.2

4、 表面张力(dyne/cm):45.5

5、 极化率(10-24cm3):34.86

计算化学

1.疏水参数计算参考值(XlogP):3.5

2.氢键供体数量:1

3.氢键受体数量:5

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39.7

7.重原子数量:24

8.表面电荷:0

9.复杂度:402

10.同位素原子数量:0

11.确定原子立构中心数量:2

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM4569200
CHEMICAL NAME :
Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl )-, trans-(-)-
CAS REGISTRY NUMBER :
61869-08-7
LAST UPDATED :
199801
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C19-H20-F-N-O3
MOLECULAR WEIGHT :
329.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - paresthesis
REFERENCE :
JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press, Inc., POB 240008, Memphis, TN 38124) V.39- 1978- Volume(issue)/page/year: 58,175,1997
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
1400 ug/kg/7W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - other changes
REFERENCE :
AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 153,134,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
4200 ug/kg/3W-I
TOXIC EFFECTS :
Endocrine - hyperglycemia
REFERENCE :
AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 125,782,1996
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
6700 ug/kg
TOXIC EFFECTS :
Behavioral - excitement
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 11,682,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
2800 ug/kg/7D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition Nutritional and Gross Metabolic - changes in sodium
REFERENCE :
MJAUAJ Medical Journal of Australia. (Australasian Medical Pub. Co. Ltd., 71-79 Arundel St., Glebe, N.S.W., Australia) V.1- 1914- Volume(issue)/page/year: 163,390,1995 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
946 mg/kg
SEX/DURATION :
female 1-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
ASSUA6 Acta Psychiatrica Scandinavica, Supplementum. (Munksgaard International Publishers, POB 2148, DK-1016 Copenhagen K, Denmark) No.160- 1961- Volume(issue)/page/year: 350,37,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
286 mg/kg
SEX/DURATION :
female 1-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
ASSUA6 Acta Psychiatrica Scandinavica, Supplementum. (Munksgaard International Publishers, POB 2148, DK-1016 Copenhagen K, Denmark) No.160- 1961- Volume(issue)/page/year: 350,37,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3150 mg/kg
SEX/DURATION :
male 9 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)
REFERENCE :
ASSUA6 Acta Psychiatrica Scandinavica, Supplementum. (Munksgaard International Publishers, POB 2148, DK-1016 Copenhagen K, Denmark) No.160- 1961- Volume(issue)/page/year: 350,37,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
700 mg/kg
SEX/DURATION :
female 2 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
ASSUA6 Acta Psychiatrica Scandinavica, Supplementum. (Munksgaard International Publishers, POB 2148, DK-1016 Copenhagen K, Denmark) No.160- 1961- Volume(issue)/page/year: 350,37,1989

危害码 (欧洲) Xi
危险品运输编码 3249
包装等级 III
危险类别 6.1(b)
海关编码 2934999090

方法1:化合物(I)和化合物(Ⅱ)在二环己基碳化二亚胺(DCC)存在下,缩合得到帕罗西汀。61869-08-7 preparation
方法2:化合物(I)转化为甲磺酸酯后,再和化合物(Ⅱ)的钠盐反应,得到帕罗西汀。61869-08-7 preparation
方法3:化合物(Ⅲ)或其它N-烷基取代的化合物溶于甲苯,在5℃,于15min中,加入氯甲酸(1-氯乙基)酯。加毕,搅拌18h。加入甲醇,再搅拌12h。移出溶剂,剩余物溶入热异丙醇,用活性炭和氧化铝处理,过滤。往滤液中加入水,再过滤收集析出的沉淀,即得盐酸帕罗西汀半水合物,收率92%。61869-08-7 preparation

海关编码 2934999090
中文概述 2934999090. 其他杂环化合物. 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
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%