盐酸士的宁 | 5786-96-9

• 物质功能分类: 原料药 - 神经系统用药 - 中枢兴奋药
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 马钱子生物碱
• 中文名称: 盐酸士的宁
• 中文别名: 番木鳖碱盐酸盐；盐酸马钱子碱；马钱子碱盐酸盐
• 英文名称: Brucine hydrochloride
• 英文别名: Brucin；brucine chloride；2,3-dimethoxy-strychnidin-10-one; hydrochloride；Brucin; Hydrochlorid；2,3-dimethoxy-strychnidin-10-one, monohydrochloride；(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydron;chloride
• CAS: 5786-96-9
• 化学式: C₂₃H₂₆N₂O₄*ClH
• 分子量: 430.931
• InChiKey: LOAGDNZFQUISCJ-SUJBTXFYSA-N

物化性质

• 稳定性/保质期：

  常温常压下稳定，有剧毒。

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36,S37/39
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 储存条件：
  常温下应避光存放于阴凉干燥处并密封保存。

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Brucine Hydrochloride
Portland OR
Synonym Not available.
Chemical Formula C23H26N2O4•HCl•H2O
CAS Number 5786-96-9

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
Brucine Hydrochloride 5786-96-9 --------- Not available. Not available.

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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.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping
eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of
15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively.
Skin Contact After contact with skin, wash immediately with plenty of water. Gently and thorough wash the contaminated skin with
running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. COLD water
may be used. Cover the irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively.
Wash any contaminated clothing before reusing.
If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
Inhalation
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
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, administer artificial respiration.
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. Seek immediate medical attention and, if possible,
show the chemical label. Treat symptomatically and supportively.

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Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flash Points Flammable Limits
Not available. Not available.
Combustion Products
These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), halogenated compounds.
WARNING: Highly toxic HCl gas is produced during combustion.
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
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.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Continued on Next Page
Brucine Hydrochloride

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Section VI. Accidental Release Measures
Spill Cleanup Toxic material.
Instructions In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a
shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

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Section VII. Handling and Storage
TOXIC. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the
Handling and Storage
container and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust.
Information

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Section VIII. 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 Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Be sure to use a MSHA/NIOSH approved respirator or
equivalent. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product.
Exposure Limits
Not available.

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Section IX. Physical and Chemical Properties
Physical state @ 20°C Solid. Solubility
Soluble in water or alcohol.
Not available.
Specific Gravity
Molecular Weight Partition Coefficient
430.93 Not available.
Boiling Point Vapor Pressure
Not available. Not available.
Melting Point Not available. Vapor Density Not available.
Refractive Index Not available. Volatility Not available.
Critical Temperature Not available. Odor Not available.
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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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 oxidizing agents.

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Section XI. Toxicological Information
RTECS Number Not available.
Eye contact. Ingestion. Inhalation. Skin contact.
Routes of Exposure
Toxicity Data Not available.
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
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
Brucine Hydrochloride

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

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
Waste Disposal
a 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.

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

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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 Not available.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements R23/24/25- Toxic by inhalation, in contact with skin and if swallowed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：有毒物品

毒性分级：剧毒

急性毒性：

• 口服 - 大鼠 LD50: 1 毫克/公斤
• 口服 - 小鼠 LD50: 150 毫克/公斤（估计值）

可燃性危险特性： 不易燃；燃烧时会产生有毒的氧化氮和氯化氢气体

储运特性： 库房应通风、低温干燥，并与食品分开储运

灭火剂： 水、泡沫、二氧化碳或砂土

反应信息

• 作为反应物：
  描述：

  盐酸士的宁 在 silver tetrafluoroborate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 brucine tetrafluoroborate
  参考文献：
  名称：

  通过扩散，Overhauser，DFT和X射线方法对有机盐中的离子配对和盐结构进行分析

  摘要：

  脉冲梯度自旋回波（PGSE）扩散为特征）的新[brucinium] [X]的盐6 - ˚F [一个：X = BF 4 - ; b：X = PF 6 - ; Ç：X =内消旋3 - ，d：X = CF 3 SO 3 - ; Ë：X = BARF - ; ˚F：X =氯铂酸3（C 2 H ^ 4）- ]，B）4-叔丁基- ñ -苄基类似物，7c）芳基碳阳离子（p -R 6 C 4）2 CH 9 a（R = CH 3 O）和9 b（R =（CH 3）2 N），（p -CH 3 O-C 6 H 4）x CPh 3- x + 10 a – c（分别为x = 1–3）和（p ‐R–C 6 H 4）3 C + 11（R =（CH 3）2 N）和据报道全部在几种不同的溶剂中为12（R ＝ H）。溶剂依赖性表明，CDCl 3中的离子配对很强，CD 2 Cl 2中的离子配对很中间，[D 6 ]丙酮中的离子配对很少。1

  DOI：

  10.1002/chem.200900021
• 作为产物：
  描述：

  马钱子碱 在 硫酸 、 sodium chloride 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 盐酸士的宁
  参考文献：
  名称：

  通过扩散，Overhauser，DFT和X射线方法对有机盐中的离子配对和盐结构进行分析

  摘要：

  脉冲梯度自旋回波（PGSE）扩散为特征）的新[brucinium] [X]的盐6 - ˚F [一个：X = BF 4 - ; b：X = PF 6 - ; Ç：X =内消旋3 - ，d：X = CF 3 SO 3 - ; Ë：X = BARF - ; ˚F：X =氯铂酸3（C 2 H ^ 4）- ]，B）4-叔丁基- ñ -苄基类似物，7c）芳基碳阳离子（p -R 6 C 4）2 CH 9 a（R = CH 3 O）和9 b（R =（CH 3）2 N），（p -CH 3 O-C 6 H 4）x CPh 3- x + 10 a – c（分别为x = 1–3）和（p ‐R–C 6 H 4）3 C + 11（R =（CH 3）2 N）和据报道全部在几种不同的溶剂中为12（R ＝ H）。溶剂依赖性表明，CDCl 3中的离子配对很强，CD 2 Cl 2中的离子配对很中间，[D 6 ]丙酮中的离子配对很少。1

  DOI：

  10.1002/chem.200900021

文献信息

• Do the Banaro Really Exist? Going Back After Richard Thurnwald
  作者：Bernard Juillerat

  DOI：10.1002/j.1834-4461.2000.tb02723.x

  日期：2000.9

  anthropologist Richard Thurnwald explored the Sepik area with the Berlin Museum fur Volkerkunde expedition. In the last months of his stay, he worked with two Banaro informants and later on published his famous study on that society. Eighty five years after, the only anthropological reference on the Banaro is still his own articles. Bernard Juillerat spent four months among the Banaro in 1989, discussing

  1913 年至 1915 年间，奥德人类学家理查德·图恩瓦尔德 (Richard Thurnwald) 与柏林博物馆毛皮沃尔克昆德 (Berlin Museum fur Volkerkunde) 探险队一起探索了塞皮克 (Sepik) 地区。在他逗留的最后几个月，他与两名巴纳罗线人一起工作，后来发表了他对该社会的著名研究。八十五年后，关于巴纳罗的唯一人类学参考仍然是他自己的文章。Bernard Juillerat 于 1989 年在 Banaro 度过了四个月，与人们讨论 Thurnwald 对社会结构和世界伙伴关系的分析。一本书于 1993 年以法语出版。这篇文章是该书的简短摘要，其中作者讨论了 Thurnwald 的解释，并提供了有关男性家庭仪式和启蒙的民族志材料。
• Resolution of racemic 5-phenyl-2-pentanol
  申请人：PFIZER INC.

  公开号：EP0078145A1

  公开（公告）日：1983-05-04

  Racemic 5-phenyl-2-pentanol is resolved via its hemiphthalate ester, followed by diastereomer salt formation with (+)-brucine, separation of the brucine salt of (S)-5-phenyl-2-pentylhemi-phthalate and recovery of the (S)-alcohol therefrom. The (S)-5-phenyl-2-pentanol is a valuable intermediate for organic synthesis. The separated (+)-brucine salt of (S)-5-phenyl-2-pentylhemiphthalate is a novel and useful intermediate.

  外消旋 5-苯基-2-戊醇通过其半邻苯二甲酸酯分解，然后与(+)-布鲁氨酸形成非对映异构盐，分离出(S)-5-苯基-2-戊基半邻苯二甲酸酯的布鲁氨酸盐，并从中回收(S)-醇。(S)-5-苯基-2-戊醇是一种重要的有机合成中间体。分离出的(S)-5-苯基-2-戊基间苯二甲酸 (+)- 布鲁氨酸盐是一种新型有用的中间体。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ru: MVol., 51, page 113 - 115
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.10, 5.7, page 266 - 268
  作者：

  DOI：——

  日期：——
• Preparation of Optically Active Polyhedral Borane Derivatives
  作者：W. R. Hertler

  DOI：10.1021/ja01068a047

  日期：1964.7