氯酯醒 | 3685-84-5

• 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 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 氯酯醒
• 中文别名: 盐酸甲氯酚酯；氯醒酯；2-(二甲基氨基)乙基对氯苯氧基乙酸酯盐酸盐；酸甲氯芬酯；盐酸氯醒酯；盐酸甲氯芬酯
• 英文名称: meclofenoxate hydrochloride
• 英文别名: centrophenoxine hydrochloride；2-(Dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydron;chloride
• CAS: 3685-84-5
• 化学式: C₁₂H₁₆ClNO₃*ClH
• mdl: MFCD00012533
• 分子量: 294.178
• InChiKey: FIVHOHCAXWQPGC-UHFFFAOYSA-N

物化性质

• 熔点：
  133-135°C
• 密度：
  1.3255 (rough estimate)
• 溶解度：
  DMSO（少量）、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  38.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36
• 危险类别码：
  R22
• RTECS号：
  AG0440000
• 海关编码：
  2922509090
• 储存条件：
  库房应保持通风、低温和干燥的环境。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Centrophenoxine hydrochloride
CAS-No. : 3685-84-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C12H16ClNO3 · HCl
Molecular Weight : 294,17 g/mol
Component Concentration
Meclofenoxate hydrochloride
CAS-No. 3685-84-5 -
EC-No. 222-975-3

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 137 - 140 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 865 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: AG0440000

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

盐酸甲氯芬酯

盐酸甲氯芬酯是一种大脑兴奋剂，也被用作植物生长调节剂。此外，它还具有抗衰老作用，用于治疗老年痴呆和阿尔茨海默病，能够抑制胆碱磷酸转移酶的活性。

用途

作为一种中枢神经兴奋药，盐酸甲氯芬酯主要作用于大脑皮质，促进脑细胞的氧化还原过程，调节神经细胞代谢，并增加对糖类物质的利用。它对外伤性昏迷、儿童遗尿症、意识障碍、老年性精神症状、各种痴呆和酒精中毒等症状具有明显的兴奋中枢神经的作用。

生物活性

盐酸甲氯芬酯（Centrophenoxine HCl）是一种抗衰老药物，用于治疗老年痴呆和阿尔茨海默病。它能够抑制胆碱磷酸转移酶的活性，进一步发挥其生物活性。

分类与安全性 类别

有毒物品

毒性分级

中毒

急性毒性

• 口服-大鼠：LD50 865毫克/公斤
• 口服-小鼠：LD50 1750毫克/公斤

燃烧危险特性

可燃；加热分解时会释放极毒的氮氧化物、氯化物和氯化氢烟雾。

储运特性

应存放在通风良好且干燥低温的地方。

灭火剂

干粉、泡沫或砂土。

反应信息

• 作为反应物：
  描述：

  氯酯醒 在 三乙胺 作用下， 以 氯仿 为溶剂， 以78%的产率得到甲氯芬酯
  参考文献：
  名称：

  Esterquat herbicidal ionic liquids (HILs) with two different herbicides: evaluation of activity and phytotoxicity

  摘要：

  新型除草剂控制剂，以两种不同的除草剂作为阳离子和阴离子的形式。

  DOI：

  10.1039/c8nj01239c
• 作为产物：
  描述：

  对氯苯氧乙酸 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 氯酯醒
  参考文献：
  名称：

  Esterquat herbicidal ionic liquids (HILs) with two different herbicides: evaluation of activity and phytotoxicity

  摘要：

  新型除草剂控制剂，以两种不同的除草剂作为阳离子和阴离子的形式。

  DOI：

  10.1039/c8nj01239c

文献信息

• Pharmaceutical preparation containing copolyvidone
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US10098866B2

  公开（公告）日：2018-10-16

  A stabilized preparation which comprises: a unstable drug in a polyethylene glycol-containing preparation; and a coating agent comprising a copolyvidone instead of polyethylene glycol with which the drug is coated.

  一种稳定的制剂，包括：在聚乙二醇含制剂中的不稳定药物；以及一种包衣剂，其包衣剂包括一种共聚维酮，而不是用聚乙二醇包衣药物。
• [EN] PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS CONTENANT DE LA PIPÉRIDINE ET LEURS UTILISATIONS
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2010080864A1

  公开（公告）日：2010-07-15

  A method for preventing and/or treating a metabolic disease, cerebrovascular disease, etc. which comprises administering to a mammal an effective amount of the compound of the formula (I) wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof. And a novel compound of the formula (I-1): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof has an anti-diabetic effect and a neuroprotective effect. Accordingly, the compound of the formula (I) and the compound of the formula (I-1) are useful in a method for preventing and/or treating for a metabolic disease such as diabetes, cerebrovascular disease such as stroke, etc.

  一种预防和/或治疗代谢性疾病、脑血管疾病等的方法，包括向哺乳动物施用化合物的有效量，其化学式为(I)，其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂合物或前药。以及化学式(I-1)的新化合物：其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂合物或前药具有抗糖尿病作用和神经保护作用。因此，化合物(I)和化合物(I-1)在预防和/或治疗代谢性疾病如糖尿病、脑血管疾病如中风等方面是有用的。
• Preventives/remedies for urinary disturbance
  申请人：Ishichi Yuji

  公开号：US20070099986A1

  公开（公告）日：2007-05-03

  A compound represented by the formula: wherein Ar represents a group represented by the formula: (wherein Y represents methylene or an oxygen atom, R 1 represents aminosulfonyl, C 1-6 alkylaminosulfonyl, C 1-6 alkylcarbonylamino or C 1-6 alkylsulfonylamino, R 2 represents a hydrogen atom or C 1-6 alkyl, R 3 represents C 1-6 alkyl, and R 4 represents a hydrogen atom or C 1-6 alkyl); X represents a carbonyl group, or a methylene group which may be substituted with a hydroxy group; and L represents an optionally substituted C 4-5 alkylene group, or a salt thereof is provided.

  一个由以下式表示的化合物：其中Ar代表以下式表示的基团：（其中Y代表亚甲基或氧原子，R1代表氨基磺酰基，C1-6烷基氨基磺酰基，C1-6烷基羰基氨基或C1-6烷基磺酰基氨基，R2代表氢原子或C1-6烷基，R3代表C1-6烷基，R4代表氢原子或C1-6烷基）；X代表羰基，或者可能被羟基取代的亚甲基；L代表可选择取代的C4-5烷基烯基，或其盐。
• 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。
• 一种盐酸甲氯芬酯的制备方法
  申请人：广东先强药业有限公司

  公开号：CN110015966B

  公开（公告）日：2022-04-22

  本发明公开了一种盐酸甲氯芬酯的制备方法，反应路线为：使用CDI或EDCI或DCC等作为缩合剂，在温和的条件下进行反应，不仅操作简便、安全、环保，同时避免了现有技术中的脱色过程，进而提高了反应收率；并且成品无需经过重结晶，纯度高，质量稳定，且粉体形态良好，避免了现有技术中需蒸干溶剂的过程，操作简单且有利于溶剂回收，易实现工业化，生产能力大。