毒扁豆碱

  • 基本信息
  • 制备方法及用途
  • 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
  • 表征图谱

毒扁豆碱 基本信息

中文名称:
毒扁豆碱 
中文别名:
毒扁豆碱;
依色林,卡拉巴豆碱;
依色林;
依色林,ESERLNE;
1,2,3,3A-六氢-1,3A,8-三甲基吡咯并[2,3-B]吲哚-5-酚甲基氨基甲酸酯 
英文名称:
Pyrrolo[2,3-b]indol-5-ol,1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-
英文别名:
physostigmine;
(3aS,8aR)-1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate;
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate 
CAS No.:
57-47-6
分 子 式:

C15H21N3O2

分 子 量:
275.35
精确分子量:
275.16300
PSA:
44.81000
MDL:
MFCD00151090
EINECS:
200-332-8
BRN:
91230
InChI:
InChI=1/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
危险品标志:

VeryT+

风险术语:

R26/28;

安全术语:

S23;S45;

分子结构式:
SDS:
查看

毒扁豆碱 制备方法及用途

制备方法

可从毒扁豆种子提出毒扁豆碱,用水杨酸处理而制得。也可人工合成。

合成制备方法

可从毒扁豆种子提出毒扁豆碱,用水杨酸处理而制得。也可人工合成。

用途简介

生化研究。 能抑制胆碱酯酶,有兴奋平滑肌及横纹肌的作用,能缩小瞳孔、降低眼内压,主要用于青光眼等。效果较毛果芸香碱强而持久。

用途

  生化研究。     能抑制胆碱酯酶,有兴奋平滑肌及横纹肌的作用,能缩小瞳孔、降低眼内压,主要用于青光眼等。效果较毛果芸香碱强而持久。

毒扁豆碱 物化性质

密度:
1.166g/cm3
熔点:
102-104 °C(lit.)
沸点:
393.5ºC at 760mmHg
闪点:
191.8ºC
折射率:
1.567
存储条件/存储方法:
库房低温通风干燥,与食品原料分开存放
其它信息:

1.        性状:无色斜方棱柱状或片状结晶。

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):105106℃(也有不稳定低熔点的产品,为8687℃)

5.        沸点(ºC,常压):未确定

6.        沸点(ºC,5.2kPa):未确定

7.        折射率:未确定

8.        闪点(ºC):未确定

9.        比旋光度(º):[α]D17 76°C1.3,氯仿中)、[α]D25 120°C1,苯中)

10.     自燃点或引燃温度(ºC):未确定

11.     蒸气压(kPa,25ºC):未确定

12.     饱和蒸气压(kPa,60ºC):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:溶于乙醇、苯、氯仿和油类,微溶于水。

毒扁豆碱 安全信息

包装等级:
II
风险类别:
6.1(a)
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
26/28
安全说明:
S23-S45-S25
RTECS号:
TJ2100000
安全标志:
S23:不要吸入蒸汽。
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+

毒扁豆碱 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TJ2100000
CHEMICAL NAME :
Physostigmine
CAS REGISTRY NUMBER :
57-47-6
LAST UPDATED :
199710
DATA ITEMS CITED :
27
MOLECULAR FORMULA :
C15-H21-N3-O2
MOLECULAR WEIGHT :
275.39
WISWESSER LINE NOTATION :
T B556 EN GNTT&J B1 E1 G1 KOVM1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Behavioral - coma Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - nausea or vomiting
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,475,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
40 ug/kg/5D-I
TOXIC EFFECTS :
Vascular - BP elevation not characterized in autonomic section
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: 143,910,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
3920 ug/kg/2W-I
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity
REFERENCE :
NEURAI Neurology. (Modern Medicine Pub., Inc., 1 E. First St., Duluth, MN 55802) V.1- 1951- Volume(issue)/page/year: 37,345,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
12 mg/kg/60D-I
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity
REFERENCE :
NEURAI Neurology. (Modern Medicine Pub., Inc., 1 E. First St., Duluth, MN 55802) V.1- 1951- Volume(issue)/page/year: 37,345,1987
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
882 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85DCAI "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970 Volume(issue)/page/year: 2,73,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 22,1926,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,452,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
644 ug/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 43,717,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
740 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle weakness
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 123,121,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 58,337,1936
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
330 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 33,577,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5306825
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1138 ug/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - ulceration or bleeding from large intestine
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 5,184,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
660 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 88,39,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
11200 ug/kg
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,319,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2470 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ABMHAM Archives Belges de Medecine Sociale, Hygiene, Medecine du Trevail et Medecine Legale. (Quartier Esplanade no.6, 1010 Brussels, Belgium) V.4- 1946- Volume(issue)/page/year: (Suppl),226,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,452,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,452,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2200 ug/kg
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,319,1980
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
450 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5409948 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
333 ug/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
REFERENCE :
ANENAG Annales d'Endocrinologie. (Masson Editeur, 120 Blvd. Saint-Germain, F-25280 Paris Cedex 06, France) V.1- 1939- Volume(issue)/page/year: 24(Suppl 3),1,1963
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
50 ug/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - biochemical and metabolic Reproductive - Effects on Newborn - behavioral
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 31,596,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4159 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 103 (estimated) No. of Female Employees: 52 (estimated)

毒扁豆碱 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name Physostigmine free base
    Portland OR
    Synonym        Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-    
    1,3a,8-trimethyl-, 5-(N-methylcarbamate), (3aS,8aR)-
    (CA INDEX NAME); Eserine
    Chemical Formula        C15H21N3O2    
    57-47-6
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Physostigmine free base        57-47-6        Min. 98.0 Not available.        Rat LD50 (oral) 4500 µg/kg    
    (HPLC,T)        Mouse LD50 (oral) 3 mg/kg    
    Rabbit LD50 (oral)11200 µg/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: Reproductive effects.
    Rat TDLo Intraperitoneal 333 µg/kg, male 1 day prior to mating
    TOXIC EFFECTS:
    Effects on Fertility - Mating performance
    Mouse TDLo Intraperitoneal 50 µg/kg, female 13 days of pregnancy
    TOXIC EFFECTS:
    Effects on Newborn - Biochemical and metabolic
    Effects on Newborn - Behavioral
    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    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. Get medical attention.
    In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing
    Skin Contact
    and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    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
    Flammable Limits        Not available.    
    Flash Points        100°C (212°F)    
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2).    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Continued on Next Page
    Physostigmine free base
    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.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Highly toxic material. Air and light sensitive material. Heat sensitive 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
    HIGHLY TOXIC. AIR AND LIGHT SENSITIVE. HEAT SENSITIVE MATERIAL. STORE UNDER INERT GAS. Keep locked
    Handling and Storage
    up. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
    Information
    place. Avoid excessive heat and light. DO NOT ingest. Do not breathe dust. Wear suitable protective clothing. If ingested,
    seek medical advice immediately and show the container or the label. Treat symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents, metals, acids, alkalis (bases).

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. (Off-white crystal.)        Solubility    
    Physical state @ 20°C        Very soluble in dichloromethane.    
    Soluble in ether, chloroform,
    Not available.        benzene, alcohol, oils.    
    Specific Gravity
    Slightly soluble in water.
    Molecular Weight        275.35        Partition Coefficient        LOG Pow: 2.21    
    Boiling Point        Not available.        Not applicable.    
    Vapor Pressure
    Melting Point        105°C (221°F)        Vapor Density        Not available.    
    Not available.        Not available.    
    Refractive Index        Volatility    
    Critical Temperature        Not available.        Odor        Not available.    
    Not available.        Not available.    
    Viscosity        Taste    

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. Air and light sensitive. Store under inert gas.    
    Turns red on exposure to heat, light, air, and on contact with traces of metals.
    Incompatibilities
    Reactive with oxidizing agents, metals, acids, alkalis (bases).

Section XI. Toxicological Information
    TJ2100000
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Rat LD50 (oral) 4500 µg/kg
    Toxicity Data
    Mouse LD50 (oral) 3 mg/kg
    Rabbit LD50 (oral)11200 µg/kg
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive effects.
    Rat TDLo Intraperitoneal 333 µg/kg, male 1 day prior to mating
    TOXIC EFFECTS:
    Effects on Fertility - Mating performance
    Mouse TDLo Intraperitoneal 50 µg/kg, female 13 days of pregnancy
    TOXIC EFFECTS:
    Effects on Newborn - Biochemical and metabolic
    Effects on Newborn - Behavioral
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many
    human organs.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    Acute Toxic Effects
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    Physostigmine free base

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.    
    I RQ = 100 (45.4)
    Packing Group (PG)
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        CLASS D-1A: Material causing immediate and serious toxic effects (VERY TOXIC).    
    On NDSL.
    (Canada)
    EINECS Number (EEC) 200-332-8
    EEC Risk Statements        R26/27/28- Very toxic by inhalation, in contact with skin and if swallowed.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

毒扁豆碱 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:77.18

2、   摩尔体积(m3/mol):236.0

3、   等张比容(90.2K):602.3

4、   表面张力(dyne/cm):42.3

5、   极化率10-24cm3):30.59

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:1

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积44.8

7.重原子数量:20

8.表面电荷:0

9.复杂度:403

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

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