西替沃酮

西替沃酮 基本信息
CAS号 17896-21-8 分子式 C6H9NO2S
分子量 159.20600 精确质量 　159.03500
PSA 　71.47000 LogP 　0.54550
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 化学图谱 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
17896-21-8
分子式：
C6H9NO2S
分子量：
159.20600
中文名称：
西替沃酮
英文名称：
Citiolone
中文别名：
西替沃酮;
胞二磷胆碱;
2-乙酰胺基-4-巯基丁酸-Γ-硫代内酯;
DL-乙酰基高半胱氨酸硫醇内酯;
乙酰胺噻酮;
DL-N-乙酰高半胱氨酸硫内脂
英文别名：
Citiolone;
N-(2-Oxotetrahydrothiophen-3-yl)acetamide;
DL-3-ACETAMIDOTETRAHYDROTHIOPH-2-ONE;
DL-N-Acetylhomocysteine thiolactone;
DL-N-ACETYLHOMOCYSTEINETHIOLACTINE;
citicoline diphosphate choline;
DL-N-ACETYLHOMOCYSTEINE THIOLACTONE;
Acetyl-DL-homocysteine thiolactone;
N-ACETYL-DL-HOMOCYSTEINE THIOLACTONE;
cdpc
精确分子量/精确质量：
159.03500
极性分子表面积/PSA：
71.47000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00005480
EINECS：
241-841-5

生产制备方法及用途展开↓

制备方法

用于急性颅脑外伤及脑手术后的意识障碍。脑血栓、多发性脑栓塞、震颤麻痹、中风后遗症、脑动脉硬化所致脑供血不足、催眠药和一氧化碳中毒及各种器质性脑病。

用途简介

用途

用于急性颅脑外伤及脑手术后的意识障碍。脑血栓、多发性脑栓塞、震颤麻痹、中风后遗症、脑动脉硬化所致脑供血不足、催眠药和一氧化碳中毒及各种器质性脑病。

物化性质展开↓

密度：
1.26g/cm3
熔点：
109-111 °C
沸点：
427.3ºC at 760 mmHg
闪点：
212.2ºC
折射率：
1.541
蒸汽压：
1.66E-07mmHg at 25°C
存储条件/存储方法：

常温密闭避光，通风干燥

稳定性相关：

常温常压下稳定

避免的物料：氧化物

其它信息：

1.       性状：白色粉末

2.       密度（g/mL,25/4℃）：不确定

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：109-111

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：不确定

8.       闪点（ºC）：不确定

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：在水中易溶，在乙醇、丙酮、氯仿中不溶。

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
25-36/37/38
安全说明：
S22-S24/25
RTECS号：
AC8680000
安全标志：
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。
危险标志：
T,Xi

化学图谱

  1. DL-乙酰基高半胱氨酸硫醇内酯红外图谱(IR1)

  2. DL-乙酰基高半胱氨酸硫醇内酯红外图谱(IR2)

  3. DL-乙酰基高半胱氨酸硫醇内酯质谱(MS)

  4. DL-乙酰基高半胱氨酸硫醇内酯核磁图(13CNMR)

  5. DL-乙酰基高半胱氨酸硫醇内酯核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

生态数据：

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: DL-N-Acetylhomocysteine Thiolactone 99% Material Safety Data Sheet
Synonym: 2-Acedtamido-4-Mercaptobutyric Acid y-Thiolactone; Citiolone
CAS: 17896-21-8
Section 1 - Chemical Product   MSDS Name:DL-N-Acetylhomocysteine Thiolactone 99% Material Safety Data Sheet
Synonym:2-Acedtamido-4-Mercaptobutyric Acid y-Thiolactone; Citiolone
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17896-21-8 DL-N-Acetylhomocysteine Thiolactone 99 241-841-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
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.
Mercaptans may cause nausea and headache. Exposure to high concentrations of mercaptans can produce unconsciousness with cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), cold extremities and rapid pulse.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Exposure to high concentrations of mercaptans can produce unconsciousness with cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), cold extremities and rapid pulse. Mercaptans may cause nausea and headache.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: 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:
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.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 17896-21-8: 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.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 109.00 - 111.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H9NO2S
Molecular Weight: 159.1285
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17896-21-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
DL-N-Acetylhomocysteine Thiolactone - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
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.
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# 17896-21-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17896-21-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17896-21-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：39.65

2、   摩尔体积（cm3/mol）：126.0

3、   等张比容（90.2K）：329.6

4、   表面张力（dyne/cm）：46.7

5、   极化率（10-24cm3）：15.72

计算化学数据

1、   疏水参数计算参考值（XlogP）：-0.3

2、   氢键供体数量：1

3、   氢键受体数量：2

4、   可旋转化学键数量：1

5、   互变异构体数量：4

6、   拓扑分子极性表面积（TPSA）：46.2

7、   重原子数量：10

8、   表面电荷：0

9、   复杂度：169

10、   同位素原子数量：0

11、   确定原子立构中心数量：0

12、   不确定原子立构中心数量：1

13、   确定化学键立构中心数量：0

14、   不确定化学键立构中心数量：0

15、   共价键单元数量：1

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP