盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐,134-63-4，生产厂家，价格-洛克化工网移动版

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐

中文名称：: 盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐

中文别名：: 盐酸山梗碱;
盐酸洛贝林;
2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐;
山梗烷醇酮盐酸盐;
盐酸-L-山梗碱

英文名称：: Lobeline hydrochloride

英文别名：: α-Lobeline Hydrochcloride;
α-Lobeline hydrochloride;
2-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone hydrochloride

CAS No.：: 134-63-4

分子式：: C₂₂H₂₈ClNO₂

分子量：: 373.92

精确分子量：: 373.18100

PSA：: 40.54000

MDL：: MFCD00082455

EINECS：: 205-150-2

BRN：: 3920196

InChI：: InChI=1/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/t19-,20+,21+;/m0./s13

危险品标志：

风险术语：: R23/25

安全术语：: S36/37/39;S45

分子结构式：

SDS：: 查看

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐物化性质

外观与性状：: 白色至灰白色固体
熔点：: 183-185 °C (dec.)(lit.)
沸点：: 485.6ºC at 760mmHg
闪点：: 247.5ºC
折射率：: -57.5 ° (C=1, H2O)
蒸汽压：: 3.02E-11mmHg at 25°C
存储条件/存储方法：: 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置
稳定性相关：: 如果遵照规格使用和储存则不会分解，未有已知危险反应
其它信息：: 1.         性状：白色或黄白色粉末

2.         密度（g/mL,25℃）：未确定

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）：183-185

5.         沸点（ºC,常压）：未确定

6.         沸点（ºC,0.4KPa）：未确定

7.         折射率（C=1，H2O）：-57.5 º

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（mmHg,25ºC）：未确定

12.      饱和蒸气压（kPa,20ºC）：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：未确定

17.      爆炸上限（%,V/V）：未确定

18.      爆炸下限（%,V/V）：未确定

19.      溶解性：水：0.25mg/ml

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐安全信息

包装等级：: III
风险类别：: 6.1(b)
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R23/25
安全说明：: S36/37/39-S45
RTECS号：: OJ8490100
安全标志：: S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：: T:Toxic;

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OJ8490100

CHEMICAL NAME :: Lobeline, hydrochloride

CAS REGISTRY NUMBER :: 134-63-4

LAST UPDATED :: 198706

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C22-H27-N-O2.Cl-H

MOLECULAR WEIGHT :: 373.96

WISWESSER LINE NOTATION :: T6NTJ A1 B1YQR& F1VR &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 39900 ug/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,913,1982

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 87500 ug/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,913,1982

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 7800 ug/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,913,1982

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 163,279,1931

毒理学数据：

1、急性毒性：小鼠腹腔LD50：39900μg/kg

小鼠皮下LD50：87500μg/kg

小鼠静脉注射LD50：7800μg/kg

青蛙肠外LDLo：150mg/kg

生态数据：

根据国家和地方有关法规的要求处置。或与厂商或制造商联系，确定处置方法。

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐 MSDS

Section I.Chemical Product and Company Identification
    Chemical Name Lobeline Hydrochloride
    Portland OR
    Synonym        Not available.
    C22H27NO2•HCl
    Chemical Formula
    134-63-4
    CAS Number

Section II.        Composition and Information on Ingredients
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL
    Lobeline Hydrochloride        134-63-4        Min. 98.0 Not available.        Mouse LD50 (intraperitoneal) 39900
    (HPLC,T)        ug/kg
    Mouse LD50 (intravenous) 7800
    ug/kg
    Mouse LD50 (subcutaneous) 87500
    ug/kg

Section III. Hazards Identification
    Acute Health Effects        Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.

Section IV.        First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing
    and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data
    Not available.
    May be combustible at high temperature.        Auto-Ignition
    Flammability
    Flash Points        Flammable Limits        Not available.
    Not available.
    These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), halogenated compounds.
    Combustion Products
    WARNING: Highly toxic HCl gas is produced during combustion.
    Fire Hazards
    Not available.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Lobeline Hydrochloride

Section VI.        Accidental Release Measures
    Spill Cleanup        Toxic material.
    Stop leak if without risk. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
    Instructions
    vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition. Consult
    federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    TOXIC. Keep locked up.. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container
    Handling and Storage
    and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. Do not breathe dust. Wear suitable
    Information
    protective clothing. If ingested, seek medical advice immediately and show the container or the label. Treat symptomatically
    and supportively.

Section VIII. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    Engineering Controls
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
    Personal Protection
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this
    product.
    Exposure Limits        Not available.

Section IX. Physical and Chemical Properties
    Solid. (White powder.)        Solubility
    Physical state @ 20°C        Soluble in water, alcohol.
    Very soluble in chloroform.
    Not available.        Very slightly soluble in ether.
    Specific Gravity
    373.92
    Molecular Weight        Partition Coefficient        Not available.
    Boiling Point        Not available.        Vapor Pressure        Not applicable.
    180°C (356°F)        Not available.
    Melting Point        Vapor Density
    Not available.        Volatility        Not available.
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor
    Viscosity        Not available.        Taste        Not available.

Section X. Stability and Reactivity Data
Stability

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Conditions of Instability        Avoid excessive heat and light.
    Incompatibilities
    Reactive with strong oxidizing agents.

Section XI. Toxicological Information
    OJ8490100
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.
    Mouse LD50 (intraperitoneal) 39900 ug/kg
    Toxicity Data
    Mouse LD50 (intravenous) 7800 ug/kg
    Mouse LD50 (subcutaneous) 87500 ug/kg
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many
    human organs.
    Acute Toxic Effects        Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    Lobeline Hydrochloride

Section XII.        Ecological Information
    Ecotoxicity        Not available.
    Not available.
    Environmental Fate

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        DOT CLASS 6.1: Toxic material.
    PIN Number
    Proper Shipping Name        Alkaloids, solid, n.o.s.
    III
    Packing Group (PG)
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).
    (Canada)
    EINECS Number (EEC) 205-150-2
    EEC Risk Statements        R23/24/25- Toxic by inhalation, in contact with skin and if swallowed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐分子结构与计算化学数据

分子结构数据

1、摩尔折射率：无可用的

2、摩尔体积（cm³/mol）：无可用的

3、等张比容（90.2K）：无可用的

4、表面张力（dyne/cm）：无可用的

5、介电常数：无可用的

6、极化率（10^-24cm³）：无可用的

7、单一同位素质量：373.180857 Da

8、标称质量：373 Da

9、平均质量：373.9162 Da

计算化学数据

1、疏水参数计算参考值（XlogP）：

2、氢键供体数量：2

3、氢键受体数量：3

4、可旋转化学键数量：6

5、互变异构体数量：2

6、拓扑分子极性表面积（TPSA）：40.5

7、重原子数量：26

8、表面电荷：0

9、复杂度：412

10、同位素原子数量：0

11、确定原子立构中心数量：3

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：2

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐上游产品

顺式-2,2'-(1-甲基哌啶-2,6-二基)二[1-苯基乙烷-1-酮]盐酸盐 2-[6-(2-羟基-2-苯基-乙基)-1-甲基-2-哌啶基]-1-苯基-乙醇

盐酸洛贝林; 2-[1-甲基-6-(beta-羟基苯乙基)-2-哌啶基]苯乙酮盐酸盐下游产品

洛贝林氯