伪石榴碱盐酸盐 | 6164-62-1

• 物质功能分类: 生物化工 - 提取物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 伪石榴碱盐酸盐
• 中文别名: 盐酸假石榴碱
• 英文名称: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one hydrochloride
• 英文别名: pseudopelletierin hydrochloride；pseudopelletierine hydrochloride；9-methyl-9-aza-bicyclo[3.3.1]nonan-3-one; hydrochloride；9-Methyl-9-aza-bicyclo[3.3.1]nonan-3-on; Hydrochlorid；9-methyl-9-aza-bicyclo[3.3.1]nonan-3-one hydrochloride；9-methyl-9-azabicyclo[3.3.1]nonan-3-one-hydrochloride；9-Azabicyclo[3.3.1]nonan-3-one, hydrochloride；9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
• CAS: 6164-62-1
• 化学式: C₉H₁₅NO*ClH
• 分子量: 189.685
• InChiKey: CVGRGXQEVKWHHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  20.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 安全说明：
  S24/25

SDS

Name:	Pseudopelletierine Hydrochloride 98% Material Safety Data Sheet
Synonym:	9-methyl-9-azabicyclo[3.3.1]-nonan-3-one hydrochlorid
CAS:	6164-62-1

Section 1 - Chemical Product MSDS Name:Pseudopelletierine Hydrochloride 98% Material Safety Data Sheet
Synonym:9-methyl-9-azabicyclo[3.3.1]-nonan-3-one hydrochlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6164-62-1	Pseudopelletierine hydrochloride	98	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not breathe dust.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6164-62-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C9H15NO.HCl
Molecular Weight: 189.68

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6164-62-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Pseudopelletierine hydrochloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 6164-62-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6164-62-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6164-62-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  伪石榴碱盐酸盐 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 0.25h， 生成 9-甲基-9-氮杂双环[3.3.1]壬-3-酮
  参考文献：
  名称：

  WO2006/92268

  摘要：

  公开号：

文献信息

• [EN] EPIMINOCYCLOALKYL(B)INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF<br/>[FR] DÉRIVÉS D'ÉPIMINOCYCLOALKYL(B)INDOLE UTILISÉS EN TANT QUE MODULATEURS DU RÉCEPTEUR DE LA SÉROTONINE DE SOUS-TYPE 6 (5-HT6) ET LEURS UTILISATIONS
  申请人：ALBANY MOLECULAR RES INC

  公开号：WO2011044134A1

  公开（公告）日：2011-04-14

  The present invention relates to epiminocycloalkyl[b]indole derivatives as serotonin sub-type 6 (5-HT6) modulators, pharmaceutical compositions including these compounds, and methods of preparation and use thereof. These compounds are useful in the treatment of central nervous system disorders including obesity, metabolic syndrome, cognition, and schizophrenia. The subject compounds have the structure of formula (I), with the substituents being described herein.

  本发明涉及作为5-羟色胺亚型6（5-HT6）调节剂的环氨基环巴[b]吲哚衍生物，包括这些化合物的药物组合物，以及其制备和使用方法。这些化合物在治疗包括肥胖、代谢综合征、认知和精神分裂症在内的中枢神经系统疾病中具有用途。所述化合物具有式（I）的结构，其中取代基如本文所述。
• METHODS AND COMPOSITIONS FOR TREATING INFECTION
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US20150238473A1

  公开（公告）日：2015-08-27

  Provided herein are compositions and methods for treating or preventing infection.

  本文提供了用于治疗或预防感染的组合物和方法。
• Modulators of acetylcholine receptors
  申请人：Astles Charles Peter

  公开号：US20050182088A1

  公开（公告）日：2005-08-18

  The present invention relates to compounds that modulate neurotransmission by promoting the release of neurotransmitters such as acetylcholine, dopamine and norepinephrine. More particularly, the present invention relates to thio-bridged aryl compounds that are capable of modulating acetylcholine receptors and pharmaceutical compositions comprising such compounds. The compounds disclosed are useful for the treatment of dysfunctions of the central and autonomic nervous systems.

  本发明涉及化合物，通过促进乙酰胆碱、多巴胺和去甲肾上腺素等神经递质的释放来调节神经递质。更具体地，本发明涉及能够调节乙酰胆碱受体的硫桥联芳基化合物和包含此类化合物的药物组合物。所披露的化合物对中枢神经系统和自主神经系统功能障碍的治疗具有用处。
• INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Schrimpf Michael R.

  公开号：US20100087471A1

  公开（公告）日：2010-04-08

  The present application relates to indole and indoline derivatives of formula (I), (II), (III), (IV), (V), or (VI) wherein a, R 1 , R 2 , R 3 , R 4 , R 5 , U, V, W, X, Y, and Z are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating disease conditions using such compounds and compositions, and methods for identifying such compounds.

  本申请涉及公式(I)、(II)、(III)、(IV)、(V)或(VI)的吲哚和吲哚啉衍生物，其中a、R1、R2、R3、R4、R5、U、V、W、X、Y和Z如规范中所定义。本申请还涉及包含这些化合物的组合物，以及使用这些化合物和组合物治疗疾病状况的方法，以及鉴定这些化合物的方法。
• EPIMINOCYCLOALKYL[b] INDOLE DERIVATIVES AS SEROTONIN SUB-TYPE 6 (5-HT6) MODULATORS AND USES THEREOF
  申请人：GUZZO Peter R.

  公开号：US20110112122A1

  公开（公告）日：2011-05-12

  The present invention relates to epiminocycloalkyl[b]indole derivatives as serotonin sub-type 6 (5-HT 6 ) modulators, pharmaceutical compositions including these compounds, and methods of preparation and use thereof. These compounds are useful in the treatment of central nervous system disorders including obesity, metabolic syndrome, cognition, and schizophrenia. The subject compounds have the structure of formula (I) with the substituents being described herein.

  本发明涉及作为血清素亚型6（5-HT6）调节剂的环氨基环烷基[b]吲哚衍生物，包括这些化合物的制药组合物，以及其制备和使用的方法。这些化合物在治疗中枢神经系统疾病，包括肥胖症、代谢综合征、认知和精神分裂症方面具有用处。所述化合物具有公式（I）的结构，其中取代基如下所述。