Stobadine dihydrochloride | 33162-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Stobadine dihydrochloride
• 英文别名: 2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole hydrochloride；2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride
• CAS: 33162-17-3
• 化学式: C₁₃H₁₈N₂*2ClH
• 分子量: 275.221
• InChiKey: MAPCTXIFCVSCNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1h-pyrido-[4,3-b]indole DiHCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 2,8-Dimethyl-2,3,4,4a,5,9b-hexahydro-1h-pyrido-[4,3-b]indole DiHCl
CAS number: 33162-17-3

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C13H18N2.2ClH
Molecular weight: 275.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Stobadine dihydrochloride 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 trans-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
  参考文献：
  名称：

  Optical Isomers of (+) and (-)-Trans-2,3,4,4A,5,9B-Hexahydro-2,8-Dimethyl-1H-Pyrido[4,3-B] Indole

  摘要：

  本发明代表了根据本发明制备的新型光学异构体，它们是光学对映体，具有各自的生物活性，可以用作药物组合物的活性成分，具有脑功能增强和镇静作用，用于治疗患者的不同病况。

  公开号：

  US20080262019A1
• 作为产物：
  描述：

  2,8-二甲基-2,3,4,4a,5,9b-六氢-1H-吡啶并[4,3-b]吲哚 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 Stobadine dihydrochloride 、 Stobadine dihydrochloride
  参考文献：
  名称：

  Optical Isomers of (+) and (-)-Trans-2,3,4,4A,5,9B-Hexahydro-2,8-Dimethyl-1H-Pyrido[4,3-B] Indole

  摘要：

  本发明代表了根据本发明制备的新型光学异构体，它们是光学对映体，具有各自的生物活性，可以用作药物组合物的活性成分，具有脑功能增强和镇静作用，用于治疗患者的不同病况。

  公开号：

  US20080262019A1

文献信息

• Vikhareva, E. V.; Yakovleva, L. F.; Savel'eva, G. I., Journal of general chemistry of the USSR, 1985, vol. 55, p. 333 - 337
  作者：Vikhareva, E. V.、Yakovleva, L. F.、Savel'eva, G. I.

  DOI：——

  日期：——
• Optical Isomers of (+) and (-)-Trans-2,3,4,4A,5,9B-Hexahydro-2,8-Dimethyl-1H-Pyrido[4,3-B] Indole
  申请人：Salimov Ramiz Medzhidovich

  公开号：US20080262019A1

  公开（公告）日：2008-10-23

  The present invention represents novel optical isomers produced according the invention that are optic antipodes to each other having individual biological activity which can be used as active ingredients in pharmaceutical compositions with nootropic and sedative activity for treatment of different individual conditions of patients.

  本发明代表了根据本发明制备的新型光学异构体，它们是光学对映体，具有各自的生物活性，可以用作药物组合物的活性成分，具有脑功能增强和镇静作用，用于治疗患者的不同病况。