379-79-3 (酒石酸麦角胺,ERGOTAMINE TARTRATE)

CAS号:
379-79-3
中文名称:
酒石酸麦角胺
英文名称:
ERGOTAMINE TARTRATE
分子式:
C70H76N10O16
分子量:
1313.40985774994

酒石酸麦角胺(379-79-3)名称与标识符

名称

中文别名:
酒石酸麦角胺;酒石酸麦角胺标准品;麦角胺酒石酸盐;酒石蒜麦嚼胺;
英文别名:
ERGOTAMINE TARTRATE;ERGOTAMINE D-TARTRATE;Ergotartrat;Etin;Exmigra;Femergin;Gotamine tartrate;Gynergen;Gynergin;Lingraine;Lingran;Medihaler ergotamine;NSC 41869;Neo-Ergotin;Rigetamin;Secagyn;Secupan;ERGOTAMINE TARTRATE (USP IMPURITY);Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt);Ergotamine, tartrate (1:1) salt;ERGOTAMINE TARTRATE [WHO-IP];ERGOTAMINE TARTRATE COMPONENT OF MIGERGOT;ERGOTAMINE TARTRATE (USP MONOGRAPH);CAFERGOT COMPONENT ERGOTAMINE TARTRATE;NCGC00259254-01;WIGRAINE COMPONENT ERGOTAMINE TARTRATE;INDOLO(4,3-FG)QUINOLINE, ERGOTAMAN-3',6',18-TRIONE DERIV.;ERGOTAMINE TARTRATE [WHO-DD];DTXSID3025253;Tox21_201705;ERGOTAMINE TARTRATE [USP IMPURITY];ERGOTAMINE TARTRATE [VANDF];Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-,(5'alpha)-,(2R,3R)-2,3-dihydroxybutanedioate(2:1)(salt);Ergotamine tartrate (VAN);NSC41869;SCHEMBL134885;NSC-41869;DTXCID605253;ERGOTAMINE TARTRATE [USP-RS];379-79-3;ERGOTAMINE TARTRATE [JAN];CAS-379-79-3;Ergotamine tartrate [USP:JAN];NCGC00091935-01;EINECS 206-835-9;ERGOTAMINE TARTRATE [USP MONOGRAPH];Ergotamine hemitartrate;Ergotamine, tartrate (2:1) (salt);CCRIS 487;Ergotamine tartrate (2:1) (salt);Tox21_111183;GOTAMINE;ERGOTAMINE TARTRATE COMPONENT OF WIGRAINE;ERGOTAMINE TARTRATE [ORANGE BOOK];Ergotamine D-tartrate, tested according to Ph.Eur.;Cornutamin;Tartrate, Ergotamine;Tox21_303182;Wigrettes;Ergotamine, tartrate;Ergotamine bitartrate;MRU5XH3B48;MIGERGOT COMPONENT ERGOTAMINE TARTRATE;Ergotamine, tartrate (2:1);8H-OXAZOLO(3,2-A)PYRROLO(2,1-C)PYRAZINE, ERGOTAMAN-3',6',18-TRIONE DERIV.;Ergam;ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.ALPHA.)-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (2:1) (SALT);Ergotartrate;Migretamine;ERGOTAMINE TARTRATE COMPONENT OF CAFERGOT;(5'S)-5'-Benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione hemitartrate;component of Cafergot;ERGOTAMINE, TARTRATE(2:1)(SALT);ERGOTAMINE TARTRATE (USP-RS);Ergotamine Tartrate (2:1);ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-,(5'ALPHA)-,(R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE(2:1)(SALT);Q27284199;Avetol;Ergomar;ERGOTAMINE TARTRATE (MART.);NCGC00257225-01;ErgomarSublingual;Ergate;ERGOTAMINI TARTRAS [WHO-IP LATIN];Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt);Ergotamine tartrate, United States Pharmacopeia (USP) Reference Standard, monograph mol wt. 1313.41 ((C33H35N5O5)2 ?? C4H6O6);Ergotamine tartrate, European Pharmacopoeia (EP) Reference Standard;UNII-MRU5XH3B48;ERGOTAMINE TARTRATE [MI];Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1);Ergostat;ERGOTAMINE TARTRATE [MART.];CHEMBL2131781;

标识符

MDL:
MFCD00941466
InChIKey:
CJMJLDQKTOJACI-BGQAIRJTSA-N
Inchi:
1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;1-,2-/m111/s1
SMILES:
O1[C@](C)(C(N2[C@@H](CC3C=CC=CC=3)C(N3CCC[C@H]3[C@]12O)=O)=O)NC([C@@H]1C=C2C3C=CC=C4C=3C(=CN4)C[C@H]2N(C)C1)=O.O1[C@](C)(C(N2[C@@H](CC3C=CC=CC=3)C(N3CCC[C@H]3[C@]12O)=O)=O)NC([C@@H]1C=C2C3C=CC=C4C=3C(=CN4)C[C@H]2N(C)C1)=O.O[C@@H](C(=O)O)[C@H](C(=O)O)O

酒石酸麦角胺(379-79-3)物化性质

实验特性

  • LogP : 0.07280
  • PSA : 233.27000
  • Merck : 13,3696
  • 熔点 : 203 ºC (分解)
  • 比旋光度 : D25 -125 to -155° (c = 0.4 in chloroform)

计算特性

  • 精确分子量 : 731.28000
  • 氢键供体数量 : 7
  • 氢键受体数量 : 16
  • 可旋转化学键数量 : 8
  • 同位素质量 : 1312.54407637g/mol
  • 重原子数量 : 53
  • 复杂度 : 1350
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 14
  • 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 : 352Ų

酒石酸麦角胺(379-79-3)安全信息

酒石酸麦角胺(379-79-3)国际标准相关数据

EINECS:
206-835-9

酒石酸麦角胺(379-79-3)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%

酒石酸麦角胺(379-79-3)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
询单
上海柯维化学技术有限公司 18901607656
021-64609169
白荷 3428632096 询单
北京胜邦生物医药科技有限公司 13161985542刘文杰询单

酒石酸麦角胺(379-79-3)相关文献

酒石酸麦角胺(379-79-3) MSDS

基础信息


Section 1. Chemical Product and Company Identification
    Ergotamine Tartrate
    Common Name/
    Trade Name
    Ergotamine Tartrate

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. WARM water MUST be used. Get medical attention if irritation
    occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    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.
    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.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    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.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    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        When heated to decomposition it emits toxic fumes of Nitrogen oxide    
    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. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
    on the contaminated surface and allow to evacuate through the sanitary system.
    Ergotamine Tartrate

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. 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.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 8°C (46.4°F).    
    Refrigerate.

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 used
    a Large Spill        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. (Crystalline powder.)        Odor        Not available.    
    Taste        Not available.    
    Molecular Weight        1313.41 g/mole    
    Color        White. White to yellowish.    
    pH (1% soln/water)        Not available.    
    Not available.
    Boiling Point
    Melting Point        Decomposition temperature: 203°C (397.4°F)    
    Not available.
    Critical Temperature
    Specific Gravity        Not available.    
    Vapor Pressure        Not applicable.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        Not available.    
    Solubility        Very slightly soluble in cold water.    
    Solubility in Water: 0.1%
    Solubility in Ethanol: 0.1%

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

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans        DEVELOPMENTAL TOXICITY: Classified Reproductive system/toxin/female, Reproductive system/toxin/male    
    [SUSPECTED].
    May cause damage to the following organs: the reproductive system, cardiovascular system, central nervous
    system (CNS).
    Other Toxic Effects on        Hazardous in case of ingestion.    
    Humans        Slightly hazardous in case of skin contact (irritant), of inhalation.    
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        May affect genetic material (mutagenic).    
    Chronic Effects on Humans May cause adverse reproductive effects and birth defects (teratogenic)
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation. May cause systemic effects similar to that of ingestion.
    Ingestion: Harmful if swallowed. May cause dry mouth, stomach pain/abdominal cramps, nausea, vomiting,
    diarrhea. May affect behavior/central nervous system/nervous system (headache, ataxia, dizziness, lanxiety,
    lethargy, slurred speech, euphoria, insomniadrowsiness, confusion, mental instability, hallucinations, convulsions,
    muscle contraction or spasticity, facial and peripheral nerve palsies, weakness, one-sided paralysis),
    cardiovascular system (chest pain, change in heart rate(tachycardia or bradycardia) or blood pressure
    (hypertension or hypotension), weak pulse, myocardial fibrosis), liver(hepatitis), kidneys(renal failure - hematuria,
    oliguria). May also cause visual changes, cyanosis (may occur secondary to peripheral ischemia), cold or itching
    skin, numbness, peripheral circulatory disturbances, gangrene , tingling or swollen extremities, shortness of
    breath, respiratory depression, and loss of consciousness.
    Chronic Potential Health Effects:
    Ingestion: Prolonged or repeated ingestion may affect behavior/central nervous system/nervous system, and
    cardiovascular system with similar symptoms as acute ingestion.
    Medical Conditions Aggravated by Exposure: Hypersensitivity to material, cardiovascular disease, recent or
    contemplated angioplasty, hypertension, severe itching, sepis or other severe infection, and impaired kidney or
    liver function.

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
    Ergotamine Tartrate

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        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    Federal and State
    cause cancer, birth defects or other reproductive harm, which would require a warning under the statute:
    Regulations
    Ergotamine Tartrate
    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: Ergotamine Tartrate
    Illinois chemical safety act: Ergotamine Tartrate
    New York release reporting list: Ergotamine Tartrate
    Pennsylvania RTK: Ergotamine Tartrate
    Massachusetts RTK: Ergotamine Tartrate
    Massachusetts spill list: Ergotamine Tartrate
    New Jersey: Ergotamine Tartrate
    New Jersey spill list: Ergotamine Tartrate
    Louisiana RTK reporting list: Ergotamine Tartrate
    TSCA 8(b) inventory: Ergotamine Tartrate
    SARA 302/304/311/312 extremely hazardous substances: RQ = 500 lbs.: Ergotamine Tartrate
    California
    California prop. 65: This product contains the following ingredients for which the State of California has found
    Proposition 65
    to cause birth defects which would require a warning under the statute: Ergotamine Tartrate
    Warnings
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).    
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
    WHMIS (Canada) CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
    Other Classifications
    DSCL (EEC)        R22- Harmful if swallowed.        S36- Wear suitable protective clothing.    
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    Ergotamine Tartrate
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent. Wear appropriate respirator
    when ventilation is inadequate.


SECTION 16 - ADDITIONAL INFORMATION
N/A