马来酸麦角新碱

  • 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
  • 表征图谱

马来酸麦角新碱 基本信息

中文名称:
马来酸麦角新碱 
中文别名:
马来酸麦角新碱 
英文名称:
Ergonovine maleate
英文别名:
ergometrine maleate;
Ergonovine Maleate Salt;
Ergonovine maleate 
CAS No.:
129-51-1
分 子 式:
C19H23N3O2.C4H4O4
分 子 量:
441.48
精确分子量:
441.19000
PSA:
142.96000
MDL:
MFCD00082448
EINECS:
204-953-5
InChI:
The Key: YREISLCRUMOYAY-NJOLAVAISA-N
风险术语:
23/24/25
分子结构式:
SDS:
查看

马来酸麦角新碱 制备方法及用途

制备方法

用于生化研究。医药。

用途简介

用途

三、用途

用于生化研究。医药。

马来酸麦角新碱 物化性质

外观与性状:
白色或淡黄色结晶粉末
密度:
1.3g/cm3
熔点:
ca. 200ºC
沸点:
635.2ºCat 760 mmHg
蒸汽压:
3.64E-28mmHg at 25°C
存储条件/存储方法:

贮存

充氩气密封于阴凉干燥处避光保存。

稳定性相关:

基本性质

 白色或微黄色细微结晶性粉末。微有吸湿性。久置及露光色泽变深。热至67℃分解。微溶于水和乙醇,不溶于乙醚和氯仿。比旋光度[α]D25+48°→+57°(C=1,溶液)。半数致死量(小鼠,静脉)8.26mg/kg。

其它信息:

1.          性状:白色或微黄色细微结晶性粉末

2.         凝固点:−20°C

马来酸麦角新碱 安全信息

包装等级:
III
风险类别:
6.1(b)
危险类别码:
R23/24/25
安全说明:
36/37-45
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)。
:

马来酸麦角新碱 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE5250000
CAS REGISTRY NUMBER :
129-51-1
LAST UPDATED :
199707
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C19-H23-N3-O2.C4-H4-O4
MOLECULAR WEIGHT :
441.53
WISWESSER LINE NOTATION :
T C6656 1A P GN LM CUTT&&J EVMY1&1Q G1 &OV1U1VO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
40 ug/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8260 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Skin and Appendages - hair
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
140 mg/kg/4W-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - hypoglycemia Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
669 gm/kg/96W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Ear) - effect, not otherwise specified Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
773 gm/kg/44W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Ear) - effect, not otherwise specified Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
100 mg/kg
SEX/DURATION :
lactating female 5 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
10 nmol/L
REFERENCE :
TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 8,169,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83984 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 363 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83984 No. of Facilities: 179 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 3249 (estimated) No. of Female Employees: 1902 (estimated)
毒理学数据:

1、急性毒性: 婴儿经肌内TDLO40ug/kg

              男人未报到接触途径LDLO15mg/kg

小鼠经静脉LD5O8260ug/kg

豚猪经静脉LDLO80mg/kg

2、其他多剂量毒性:大鼠经口TDLO140mg/kg/4W-C

3、致肿瘤:大鼠经口TDLO669gm/kg/96W-C

大鼠经口TD773gm/kg/44W-C

4、致生殖毒性:大鼠(雌,哺乳期)皮下TDLO100mg/kg/5D

5、致突变:仓鼠卵巢姐妹染色单体交换测试系统:10nmoL

马来酸麦角新碱 MSDS


Section 1. Chemical Product and Company Identification
    Ergonovine Maleate
    Common Name/
    Trade Name
    Ergonovine Maleate

Section 4. First Aid Measures
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
    Eye Contact
    15 minutes. Cold water may be used. Get medical attention if irritation occurs.
    Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
    Skin Contact
    Cold water may be used.
    Serious Skin Contact        Not available.    
    If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
    Inhalation
    medical attention.
    Not available.
    Serious Inhalation
    Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    Ingestion
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Not available.
    Serious Ingestion

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
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Non-flammable in presence of shocks.
    Various Substances
    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
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    Not available.
    Special Remarks on
    Fire Hazards
    Not available.
    Special Remarks on
    Explosion Hazards

Section 6. Accidental Release Measures
    Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading
    Small Spill
    water on the contaminated surface and dispose of according to local and regional authority requirements.
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on
    Large Spill
    the contaminated surface and allow to evacuate through the sanitary system.
    Ergonovine Maleate

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
    Precautions
    ingest. Do not breathe dust. Wear suitable protective clothing. If ingested, seek medical advice immediately and
    show the container or the label. Keep away from incompatibles such as oxidizing agents.
    Keep container tightly closed. Keep container in a cool, well-ventilated area.
    Storage

Section 8. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    Engineering Controls
    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 Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
    avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
    of a Large Spill
    handling this product.
    Not available.
    Exposure Limits

Section 9. Physical and Chemical Properties
    Solid. (Crystalline powder.)        Odorless.    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    441.48 g/mole
    Molecular Weight
    White. Off-white.
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    200°C (392°F)
    Melting Point
    Not available.
    Critical Temperature
    Not available.
    Specific Gravity
    Not applicable.
    Vapor Pressure
    Not available.
    Vapor Density
    Not available.
    Volatility
    Not available.
    Odor Threshold
    Not available.
    Water/Oil Dist. Coeff.
    Not available.
    Ionicity (in Water)
    See solubility in water.
    Dispersion Properties
    Soluble in cold water, hot water.
    Solubility

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Not available.
    Instability Temperature
    Conditions of Instability Excess heat, incompatible materials, light, excess dust generation.
    Incompatibility with various Reactive with oxidizing agents.
    substances
    Not available.
    Corrosivity
    Ergonovine Maleate
    Sensitive to light.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Absorbed through skin. Inhalation. Ingestion.
    Routes of Entry
    LD50: Not available.
    Toxicity to Animals
    LC50: Not available.
    Chronic Effects on Humans DEVELOPMENTAL TOXICITY: Classified Reproductive system/toxin/female [POSSIBLE].
    May cause damage to the following organs: central nervous system (CNS), head.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant, permeator), of ingestion, of inhalation.    
    Humans
    Not available.
    Special Remarks on
    Toxicity to Animals
    May affect genetic material (mutagenic).
    Special Remarks on
    Chronic Effects on Humans May cause adverse reproductive effects and cancer based on animal test data.
    Acute Potential Health Effects:
    Special Remarks on other
    Skin: It may cause skin irritation, although it is not likely. It may be absorbed through the skin.
    Toxic Effects on Humans
    Eyes: May cause eye irritation.
    Inhalation: May be harmful if inhaled. Dust may cause respiratory tract and mucous membrane irritation.
    Ingestion: May be harmful if swallowed. May cause gastrointestinal tract irritation with nausea, vomiting, stomach
    pains, hypermotility and diarrhea. May affect behavior/central nervous system(convulsions, dizziness, headache),
    respiration (cyanosis), and skin (hair).
    Chronic Potential Health Effects:
    Ingestion: Prolonged or repeated ingestion may affect the blood (changes in serum composition - e.g. TP, bilirubin,
    cholesterol), liver, and endocrine system (hypoglycemia).
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been fully investigated.

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.
    The products of degradation are less toxic than the product itself.
    Toxicity of the Products
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation

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

Section 14. Transport Information
    DO T Cl assi fi cati on        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    Federal and State
    Regulations
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    California
    cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    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.
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.    
    204-953-5).
    Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non-Domestic Substances 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) Not controlled under WHMIS (Canada).
    Other Classifications
    This product is not classified according Not applicable.
    DSCL (EEC)
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    Ergonovine Maleate
    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

马来酸麦角新碱 分子结构与计算化学数据

计算化学数据

1、   疏水参数计算参考值(XlogP):

2、   氢键供体数量:5

3、   氢键受体数量:7

4、   可旋转化学键数量:5

5、   互变异构体数量:2

6、   拓扑分子极性表面积(TPSA):143

7、   重原子数量:32

8、   表面电荷:0

9、   复杂度:654

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:1

14、不确定化学键立构中心数量:0

15、共价键单元数量:2

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