111974-74-4 (11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐,N-Des2-(2-hydroxyethoxy)ethyl Quetiapine Dihydrochloride)

快速询单

结构式：

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐MOL文件

CAS号：

111974-74-4

中文名称：

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐

英文名称：

N-Des2-(2-hydroxyethoxy)ethyl Quetiapine Dihydrochloride

分子式：

C₁₇H₁₉Cl₂N₃S

分子量：

368.323860406876

API：

Quetiapine

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐(111974-74-4)名称与标识符

名称

中文别名：

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐;11-哌嗪-二苯并[b,f][1,4]硫氮杂卓盐酸盐;N-去[2-(2-羟乙氧基)乙基]喹硫平二盐酸盐;11-哌嗪-二苯并(b,f)(1,4)硫氮杂卓盐酸盐;11-哌嗪-二苯并[b,f][1,4]硫氮杂;11-哌嗪-二苯并[b.f][1.4]硫氮杂;Norquetiapine二盐酸盐标准品;富马酸喹硫平杂质B;富马酸喹硫平杂质B(EP) 标准品;喹硫平相关化合物B USP标准品;喹硫平杂质B DiHCl;11-(1-哌嗪基)-二苯并硫氮杂卓盐酸盐;副品红;奎硫平DBTP代谢物;喹硫平相关物质B;盐酸副玫瑰苯胺;喹硫平EP杂质B;半富马酸喹硫平中间体;11-哌嗪-二苯并[B,F][1,4]硫氮杂卓二盐酸盐;11-(1-哌嗪基)二苯并[B,F][1,4]硫氮杂卓二盐酸盐;二苯并[B,F][1,4]硫氮杂卓-11-[10H]哌嗪二盐酸盐;

英文别名：

11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine dihydrochloride;11-piperazine-dibenzo[b,f][1,4]thiazepine hydrochloride;11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride;11-PIPERAZINYL-DIBENZO[B,F][1,4]THIAZEPINE 2HCL;11-PIPERAZYNIL-DIBENZO[B,F][1,4]THIAZEPINE 2HCL;11-Piperazynil-Dibenzo[b,f][1,4]Thiazepine DIHYDROCHLORIDE;DibenzoB,F1,4Thiazepine-11-Piperazine2Hcl;11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine,2HCl;Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-, dihydrochloride;dibenzo[b,f][1,4]thiazepine-11-[10H]piperazine dihydrochloride;N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride;11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepinedihydrochloride;N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride (1.0 mg;11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride;Norquetiapine dihydrochloride;Quetiapine EP Impurity B;Quetiapine DBTP Metabolite;Quetiapine Impurity B DiHCl;Quetiapine Related CoMpound B;Quetiapine EP Impurity B DiHCl;Quetiapine IMpurity A (DBTP Metabolite);11-PIPERAZYNIL-DIBENZO[B,F][1,4] THIAZEP;11-Piperazinodibenzo-[b,f][1,4]-thiazepin;dibenzo[b,f][1,4]thiazepine-11-[10H]piperazine;11-Piperazin-1-yl-dibenzo[b,f][1,4]thiazepine dihydrochloride;CS-W021295;PD129973;11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepinedihydrochloride;(E)-11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine dihydrochloride;7VJ4TC63IL;N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride (1.0 mg/mL in Methanol);KS-5300;DTXSID60600505;111974-74-4;AC-1919;PZQCQHZDUIIKFU-UHFFFAOYSA-N;11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine Dihydrochloride;Q-200098;Norquetiapine 2HCl;10-(Piperazin-1-yl)-2-thia-9- azatricyclo(9.4.0.0^(3,8))pentadeca- 1(15),3,5,7,9,11,13-heptaene dihydrochloride;AM20020202;11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine--hydrogen chloride (1/2);SY046613;Q27268910;UNII-7VJ4TC63IL;SCHEMBL8507;11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine 2HCl;11-piperazinyldibenzo[b,f][1,4]thiazepine dihydrochloride;SB30701;11-piperazin-1-yl-dibenzo[b,f][1,4]thiazepine 2hcl;C17H19Cl2N3S;BCP14824;MFCD08703302;11-Piperazin-1-yldibenzo(b,f)(1,4)thiazepine dihydrochloride;FT-0600381;AKOS015895322;EC 700-276-9;Quetiapine Fumarate Imp. B;10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,9,12,14-heptaene dihydrochloride;DB-005659;11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl;

标识符

MDL：

MFCD08703302

InChIKey：

PZQCQHZDUIIKFU-UHFFFAOYSA-N

Inchi：

1S/C17H17N3S.2ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;;/h1-8,18H,9-12H2;2*1H

SMILES：

Cl.Cl.S1C2C=CC=CC=2N=C(C2C=CC=CC1=2)N1CCNCC1

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐(111974-74-4)物化性质

实验特性

LogP : 4.44100
PSA : 52.93000
沸点 : 513.3°C at 760 mmHg
熔点 : 256-258°C
蒸气压 : No data available
闪点 : No data available
颜色与性状 : Solid

计算特性

精确分子量 : 367.06800
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 367.068
重原子数量 : 23
复杂度 : 392
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 3
拓扑分子极性表面积 : 52.9A^2

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐(111974-74-4)安全信息

安全说明： H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
危险品运输编号： NONH for all modes of transport
危害声明：H315; H319; H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： Store at room temperature
信号词： Warning

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐(111974-74-4)海关数据

海关编码：

2934999090

海关数据：

中国海关编码：

2934999090

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%

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐(111974-74-4)推荐厂家更多厂家(69)

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11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐(111974-74-4)合成路线

合成路线：1 步

反应条件：

1.1 Solvents: Toluene ; 50 °C; 50 °C → 100 °C; 4 h, 100 °C; 100 °C → 20 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethanol

参考文献：

Identification, isolation, synthesis and characterization of impurities of quetiapine fumarate

Bharathi, Ch.; Prabahar, K. J.; Prasad, Ch. S.; Srinivasa Rao, M.; Trinadhachary, G. N.; et al, Pharmazie, 2008, 63(1), 14-19

11-哌嗪-二苯并[b.f][1.4]硫氮杂卓二盐酸盐(111974-74-4) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 11-Piperazinodibenzo[b,f][1,4]thiazepine DiHCl
CAS number: 111974-74-4

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula: C17H17N3S.2ClH
    Molecular weight: 368.3

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, sulfur oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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问答

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