N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 基本信息

中文名称:
N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 
中文别名:
枸橼酸芬太尼;
N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺;
枸椽酸芬太尼 
英文名称:
Fentanyl citrate
英文别名:
fentanyl citrate;
FENTANYL CITRATE;
UNII-MUN5LYG46H;
Oralet;
Fentanyl dihydrogen citrate;
fentanyl cytrate;
Phentanyl citrate;
McN-JR 4263;
McN-JR-4263-49;
Fentaz;
2-hydroxypropane-1,2,3-tricarboxylic acid,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide 
CAS No.:
990-73-8
分 子 式:

C22H28N2O.C6H8O7

分 子 量:
528.59
精确分子量:
528.24700
PSA:
155.68000
MDL:
MFCD00058359
EINECS:
213-588-0
危险品标志:

 

风险术语:

R26/27/28R42/43

安全术语:

S45S36/S37/S39

分子结构式:
SDS:
查看

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 物化性质

外观与性状:
白色粉末
熔点:
153-156°C
沸点:
466.2ºC at 760 mmHg
闪点:
11 °C
存储条件/存储方法:

 

稳定性相关:

 

其它信息:

1.     性状:白色固体

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):153-154

5.     沸点(ºC,常压):未确定

6.     沸点(ºC,2mmHg):未确定

7.     折射率(n20/D):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(mmHg,20ºC):未确定

12.  饱和蒸气压(kPa,25ºC):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:未确定

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 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:
26/27/28-42/43-39/23/24/25-23/24/25-11
安全说明:
S7-S16-S36/37-S45-S36/37/39
RTECS号:
UE5600000
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+,T,F

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UE5600000
CAS REGISTRY NUMBER :
990-73-8
LAST UPDATED :
199706
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C22-H28-N2-O.C6-H8-O7
MOLECULAR WEIGHT :
528.66
WISWESSER LINE NOTATION :
T6NTJ A2R& DNR&V2 &OV1XQVO&1VO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
15 ug/kg/7M-C
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - other changes
REFERENCE :
ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 78,629,1993
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2070 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,535,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5460 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: 6,666,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
990 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: 6,666,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
368 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,535,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
68400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,535,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
62 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,48,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10100 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: 6,666,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5543 No. of Facilities: 349 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 3782 (estimated) No. of Female Employees: 2924 (estimated)
毒理学数据:

1、急性毒性:大鼠经口LD50:18mg/kg

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 MSDS


Section 1. Chemical Product and Company Identification
    Fentanyl citrate
    Common Name/
    Trade Name
    Fentanyl citrate

Section 4. 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. Cold water may be used. Get medical attention if irritation occurs.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient.    
    Remove contaminated clothing and shoes. Cold water may be used.Wash clothing before reuse.
    Thoroughly clean shoes before reuse. Get medical attention.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek    
    immediate medical attention.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.    
    Get medical attention.
    Serious Inhalation        Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or    
    waistband. Seek medical attention.
    Ingestion        If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by    
    mouth to an unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical
    attention immediately.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Not available.
    Flash Points
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).    
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances        Non-flammable in presence of shocks.    
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards in
    Risks of explosion of the product in presence of static discharge: Not available.
    Presence of Various
    Substances
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        Not available.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container.    
    Large Spill        Poisonous solid.    
    Stop leak if without risk. Do not get water inside container. Do not touch spilled material. Use water spray
    to reduce vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all
    Fentanyl citrate

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do    
    not ingest. Do not breathe dust. Avoid contact with skin. Wear suitable protective clothing. In case of
    insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical advice immediately
    and show the container or the label.
    Keep container tightly closed. Keep container in a cool, well-ventilated area. Sensitive to light. Store in
    Storage
    light-resistant containers.

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels    
    below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep
    exposure to airborne contaminants below the exposure limit.
    Personal Protection        Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.    
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be
    a Large Spill        used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a    
    specialist BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (Solid powder.)        Odor        Odorless.    
    Not available.
    Taste
    528.61 g/mole
    Molecular Weight
    White.
    Color
    Not available.
    pH (1% soln/water)
    Boiling Point        Not available.    
    Melting Point        150°C (302°F)    
    Critical Temperature        Not available.    
    Specific Gravity        Not available.    
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.    
    Not available.
    Volatility
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        See solubility in water, methanol.    
    Soluble in cold water, methanol.
    Solubility
    Solubility in water - 1 g/40 ml water

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Conditions of Instability        Excess heat, incompatible materials    
    Incompatibility with various Reactive with oxidizing agents, acids.
    substances
    Non-corrosive in presence of glass.
    Corrosivity
    Special Remarks on        Sensitive to light. May discolor on exposure to light.    
    Reactivity
    Fentanyl citrate
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Eye contact. Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): 18 mg/kg [Rat].    
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Very hazardous in case of ingestion, of inhalation.    
    Hazardous in case of skin contact (permeator).
    Humans
    Slightly hazardous in case of skin contact (irritant).
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Warning: May Be Habit Forming.    
    Skin: It may cause skin irritation. It may be absorbed through intact skin. Harmful if absorbed through skin.
    Symptoms may parallel that of ingestion.
    Eyes: It may cause mild irritation. It may have a strong narcotic effect (pupil contraction) and the eyes may
    serve as an absorption route to the body in general.
    Inhalation: Narcotic. Harmful if inhaled. It can cause respiratory tract irritation and sneezing or coughing.
    It may also have an anesthetic effect. Inhalation of large amounts may produce lung edema, respiratory
    difficulties, and affect behavior/central nervous system (affects similar to ingestion).
    Ingestion: Toxic! Narcotic. It may be fatal if swallowed. It may cause gastric disturbances such as stomach
    pain, upset stomach, nausea, vomiting, and constipation. Ingestion of large amounts may affect
    behavior/central nervous system/peripheral nervous system (central nervous system depression or
    excitation - general anesthetic, headache, restlessness, skeletal and thoracic muscle rigidity, euphoria,
    somnolence, convulsions, lightheadedness, drowsiness, fainting, dizziness; flaccid paralysis),
    respiration(respiratory depressant), eyes (miosis (pupil contraction), blurred vision)and cardiovascular
    system (hypotension, hypertension, bradycardia, circulatory depression, cardiac arrest). When ingested with
    a tranquilizer, the following adverse reactions may occur: increased risk of cardiovascular depression chills
    and/or shivering, restlessness, hallucinatory episodes, mental depression.
    Chronic Potential Health Effects:
    Ingestion: May be habit forming upon prolonged or repeated ingestion.
    Skin and Inhalation: Prolonged or repeated exposure may cause allergic reactions with skin rashes, itiching,
    coughs, stuffy nose, asthma.

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    Not available.
    BOD5 and COD
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation    
    products may arise.
    Toxicity of the Products        The products of degradation are less toxic than the product itself.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation
    Fentanyl citrate

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.

Section 14. Transport Information
    DOT Classification        CLASS 6.1: Poisonous material.    
    UNNA: 2811 : Toxic Solid, Organic, n.o.s.(Fentanyl Citrate) PG: II
    Identification
    Not available.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    Federal and State
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has    
    Proposition 65        found to cause cancer which would require a warning under the statute: No products were found.    
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has
    found to cause birth defects which would require a warning under the statute: No products were found.
    OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).
    Other Regulations
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances
    (213-588-0)
    Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non- Domestic Substance
    List (NDSL).
    China: Not listed on National Inventory.
    Japan: Not listed on National Inventory (ENCS).
    Korea: Not listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    WHMIS (Canada) CLASS D-1A: Material causing immediate and serious toxic effects (VERY TOXIC).
    Other Classifications
    DSCL (EEC)        R23/24- Toxic by inhalation and in        S36/37/39- Wear suitable protective clothing,    
    contact with skin.        gloves and eye/face protection.    
    R28- Very toxic if swallowed.        S45- In case of accident or if you feel unwell,    
    R42/43- May cause sensitization by        seek medical advice immediately (show the    
    inhalation and skin contact.        label where possible).    
    Health Hazard
    HMIS (U.S.A.)        3 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    3 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    Fentanyl citrate
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 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:无可用的

7、单一同位素质量:528.247166Da

8、标称质量:528Da

9、平均质量:528.594Da

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:4

3.氢键受体数量:9

4.可旋转化学键数量:11

5.互变异构体数量:无

6.拓扑分子极性表面积156

7.重原子数量:38

8.表面电荷:0

9.复杂度:618

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:2

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 上游产品

N-苯基-N-[1-(2-苯乙基)-4-哌啶基]丙酰胺柠檬酸盐 下游产品

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