Equilin | 474-86-2

• 物质功能分类: 原料药 - 神经系统用药 - 抗精神病药
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Equilin
• 英文别名: 3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
• CAS: 474-86-2；24022-60-4
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: WKRLQDKEXYKHJB-UHFFFAOYSA-N

物化性质

• 熔点：
  238-240 °C(lit.)
• 比旋光度：
  D25 +308° (c = 2 in dioxane); D25 +325° (c = 2 in alc)
• 沸点：
  351.51°C (rough estimate)
• 密度：
  1.1096 (rough estimate)
• 闪点：
  9℃
• 溶解度：
  氯仿（轻微溶解）、二恶烷（微溶、加热、超声处理）、DMSO（微溶、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S16,S36/37,S45,S7
• 危险类别码：
  R40
• WGK Germany：
  3
• 海关编码：
  2937230000
• 储存条件：
  -20°C

SDS

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Section 1. Chemical Product and Company Identification
Equilin
Common Name/
Trade Name
Manufacturer
Commercial Name(s)
Synonym
Chemical Name
Chemical Family
Equilin

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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. 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.

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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.
Products of Combustion These products are carbon oxides (CO, CO2).
Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
Various Substances Non-flammable in presence of shocks.
Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks.
Non-explosive in presence of shocks.
of Various Substances
SMALL FIRE: Use DRY chemical powder.
Fire Fighting Media
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
As with most organic solids, fire is possible at elevated temperatures
Special Remarks on
Fire Hazards
Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
Hazards explosion hazard.

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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.
Equilin

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Section 7. Handling and Storage
Precautions Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
breathe dust. Wear suitable protective clothing. If you feel unwell, seek medical attention and show the label
when possible.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area.

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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.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. (crystalline powder.) Odor Not available.
Taste Not available.
Molecular Weight 268.4 g/mole
Color White to yellowish.
pH (1% soln/water) Not available.
Not available.
Boiling Point
Melting Point Not available.
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 Not available.

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Section 10. Stability and Reactivity Data
The product is stable.
Stability
Instability Temperature Not available.
Conditions of Instability Excess heat, incompatible materials
Not available.
Incompatibility with various
substances
Not available.
Corrosivity
Equilin
Not available.
Special Remarks on
Reactivity
Not available.
Special Remarks on
Corrosivity
Polymerization Will not occur.

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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.
Other Toxic Effects on Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
Humans
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on May affect genetic material (mutagenic).
Chronic Effects on Humans May cause cancer based on animal test data.
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.
Ingestion: It may cause nausea, headache, and vomiting. Acute and prolonged or repeated over exposure may
cause gynecomastia in men. May cause menstrual irregularities in women.

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Section 12. Ecological Information
Ecotoxicity Not available.
BOD5 and COD Not available.
Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
Toxicity of the Products The product itself and its products of degradation are not toxic.
of Biodegradation
Special Remarks on the Not available.
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Not applicable.
Identification
Not applicable.
Special Provisions for
Transport
Equilin
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
California California prop. 65: This product contains the following ingredients for which the State of California has found
to cause cancer which would require a warning under the statute: No products were found.
Proposition 65
Warnings
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: No products were found.
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) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) R40- Limited of evidence of S22- Do not breathe dust.
carcinogenic effects. S24/25- Avoid contact with skin and eyes.
R60- May impair fertility.
Health Hazard
HMIS (U.S.A.) 1 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
1 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Equilin
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

非典型抗精神病药物

非典型抗精神病药又称为新一代抗精神病药，是指对多巴胺D2受体的阻断弱于对5-HT2A受体的阻断的抗精神病药物。目前临床上使用的氯氮平、利培酮、奥氮平、奎硫平和齐拉西酮等均属此类。非典型抗精神病药中除氯氮平临床应用较早（70年代），其他均为90年代后期才出现的新型抗精神病药。

非典型抗精神病药具有明显治疗阳性症状和阴性症状的作用，而与传统抗精神病药物相比锥体外系症状(EPS)较少。这类药物包括以氯丙嗪、氟奋乃静为代表的吩噻嗪类药物；以氟哌啶醇为代表的丁酰苯类药物；以氯普噻吨、氟哌噻吨为代表的硫杂蒽类药物；以及以氯氮平和洛沙平等为代表的二苯二氮杂类药物等。

**氟哌噻吨**又称盐酸二氟噻吨、复康素或三氟噻吨，是一种硫杂蒽类非典型抗精神病药。常温下为白色或淡黄色粉末，味苦，溶于水和乙醇。其癸酸酯为黄色油状物，轻臭。此类药物的化学结构与吩噻嗪类抗精神病药基本相似，只是在吩噻嗪环上第10位氮原子被碳原子取代。氟哌噻吨对淡漠、接触被动、意向减退和违拗等症状效果较好，并具有较强的抗精神病作用，比氯普噻吨强4～8倍，同时还有抗焦虑、抑郁作用。其药理作用机制是选择性地阻断中枢神经内的多巴胺受体，产生抗精神病作用；并可抑制脑内神经元对去甲肾上腺素和5-羟色胺的再摄取，而产生抗抑郁作用。

吩噻嗪类抗精神病药

吩噻嗪类抗精神病药是应用最广的抗精神病药物，主要用于治疗精神分裂症。用药后能减轻或消除幻觉、妄想等症状，并控制行为紊乱，使患者的精神恢复正常。这类药物具有两种药理特性：即特异的抗精神病作用和锥体外系反应。

根据与吩噻嗪环相联的侧链不同，又可分为二甲胺类（如氯丙嗪、三氟丙嗪）、哌嗪类（如奋乃静、三氟啦嗪和氟奋乃静）及哌啶类（如甲硫哒嗪、甲砜达嗪和哌普嗪）。各类药物的作用强度、镇静作用和锥体外系反应有所区别，其中哌嗪类的抗精神病作用较强，无明显镇静作用，但锥体外系反应明显；哌啶类的抗精神病作用较弱，镇静作用较明显，而锥体外系反应相对少见；二甲胺类的作用介于上述两类之间。

氯丙嗪

氯丙嗪是吩噻嗪类的代表药物。20世纪50年代初被发现并投入临床应用，具有良好的抗精神病作用，是最常用的抗精神病药。

适应症

非典型抗精神病药物和传统抗精神病药物适用于多种原因引起的抑郁或焦虑症状、由癫痫、老年性痴呆、精神发育迟滞以及酒精或药物依赖等伴发的精神症状。口服：精神病初始剂量为一次5mg，qd；以后视情况可逐渐加量，必要时可增至40mg/d；维持剂量为一次5～20mg，qd。抑郁症一次1mg，bid；极量3mg/d。肌注：治疗精神分裂症，初始剂量为一次10mg，注射1次，1周后酌情加量；治疗剂量为一次20～40mg，每2周1次；维持剂量为一次20mg，每2～4周1次。

不良反应

氟哌噻吨的不良反应主要为锥体外系反应。以大剂量治疗慢性精神分裂症时，此反应发生率明显增加，但疗效并无相应增高。

生物活性

Equilin (7-Dehydroestrone) 是一大类雌激素物质中的重要成员，与雌二醇有化学关系。Equilin 通过NMDA受体依赖机制促进皮层神经元的生长。

体外研究

研究表明，Equilin 在结合马尿雌酮中通过NF-κB信号通路增加单核细胞-内皮细胞粘附。

文献信息

• PHARMACEUTICAL COMPOSITIONS OF CONJUGATED ESTROGENS AND METHODS FOR THEIR USE
  申请人：Duramed Pharmaceuticals Inc.

  公开号：EP0840599B1

  公开（公告）日：2008-07-16