(1R,3R,5S,8S,9R,12S,13R)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,9R,12S,13R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione | 124-87-8

• 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 - 有机杂环化合物 - 呋喃吡喃类
• 英文名称: (1R,3R,5S,8S,9R,12S,13R)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,3R,5S,8S,9R,12S,13R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
• CAS: 124-87-8
• 化学式: C30H34O13
• 分子量: 602.6
• InChiKey: VJKUPQSHOVKBCO-ZYMHLGHZSA-N

物化性质

• 熔点：
  203 °C(lit.)
• 沸点：
  571.75°C (rough estimate)
• 比旋光度：
  D16 -29.3° (c = 4 in abs ethanol)
• 密度：
  1,28 g/cm3
• 溶解度：
  乙醇：50 mg/mL，澄清至轻微混浊
• 颜色/状态：
  Shiny rhomboid leaflets
• 气味：
  Odorless
• 味道：
  Very bitter
• 稳定性/保质期：

  Stable in air; affected by light

• 旋光度：
  Specific rotation: -29.3 deg @ 16 °C/d (absolute ethanol, c= 4)
• 分解：
  When heated to decomposition it emits acrid smoke and fumes

计算性质

• 辛醇/水分配系数(LogP)：
  -0.93
• 重原子数：
  43
• 可旋转键数：
  2
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  191
• 氢给体数：
  3
• 氢受体数：
  13

ADMET

毒理性

• 人类毒性摘录

一起罕见的涉及眼睛的中毒病例发生在一个年轻女性身上，她食用了被毒扁豆碱毒杀的鱼。她出现了头痛、寒战、流涎和视力丧失，瞳孔扩大且无反应。观察到两个视网膜都有水肿。...患者康复了...

An unusual case of poisoning with eye involvement occurred in a young woman who ate fish that had been killed by picrotoxin. She developed headache, chills, salivation, and loss of vision, with the pupils dilated and unreactive. Both retinas were observed to be edematous. ... The patient recovered ...

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

没有明显的苦毒效果，直到痉挛剂量被给予。由此产生的痉挛是不协调的，模式类似于戊四唑产生的模式...使用大量苦毒时，可能会出现强直-阵挛性发作，其中强直屈曲先于强直伸展。伴随着痉挛运动的是流涎、血压升高，由于血管运动刺激，常常伴有呕吐。

No appreciable effect of picrotoxin is seen until convulsive doses are given. The resultant convulsion is clonic and incoordinated, and the pattern resembles that produced by pentylenetetrazol ... With large doses of picrotoxin a tonic-clonic seizure may occur in which tonic flexion precedes tonic extension. Accompanying the convulsive movements are salivation, elevation of blood pressure due to vasomotor stimulation, and frequently emesis.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

斑蝥毒素是一种高度有毒的物质，20毫克的剂量可能会产生严重中毒的症状。对于人类而言，致命剂量尚不清楚。

Picrotoxin is a highly toxic substance, and a dose of 20 mg may produce symptoms of severe poisoning. The fatal dose for man is unknown.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在猫和兔子的实验中，根据苦毒品的剂量，视神经神经元的电活动和视觉诱发的皮层反应都有所减少和增强。对青蛙视网膜活性的抑制作用已被证实。

Experiments in cats and rabbits have shown both reduction and enhancement of electrical activity of optic nerve neurons and visual evoked cortical responses, depending on the dosage of picrotoxin. Inhibitory effect on frog retina activity has been shown.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

/Picrotoxin is/ highly toxic to fish.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

尽管毒扁豆碱可以通过所有途径被吸收，但是对中枢神经系统产生完整效果需要几分钟，即使是通过静脉给药。其作用持续时间相对较短。

Although picrotoxin is absorbed by all routes, the full effect on the central nervous system is not seen for several minutes, even when the drug is admin intravenously. Its duration action is relatively brief.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  6.1(a)
• 危险品标志：
  T+,T,N
• 安全说明：
  S28,S36/37/39,S45,S61
• 危险类别码：
  R52/53,R28
• WGK Germany：
  3
• 海关编码：
  29322985
• 危险品运输编号：
  UN 3462 6.1/PG 2

SDS

Name:	Picrotoxin, 99% Material Safety Data Sheet
Synonym:	Cocculin
CAS:	124-87-8

Section 1 - Chemical Product MSDS Name: Picrotoxin, 99% Material Safety Data Sheet
Synonym: Cocculin

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
124-87-8	Picrotoxin	99.0	204-716-6

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

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause central nervous system effects.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
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. 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.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 124-87-8: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Crystals
Color: white to light beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 200.00 - 202.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in hot water
Specific Gravity/Density:
Molecular Formula: C30H34O13
Molecular Weight: 602.58

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. May decompose when exposed to light.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong acids - strong bases - light.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 124-87-8: TJ9100000
LD50/LC50:
CAS# 124-87-8: Oral, mouse: LD50 = 15 mg/kg.
Carcinogenicity:
Picrotoxin - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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
Shipping Name: TOXINS, SOLID, EXTRACTED FROM LIVING SOURCES, N.O. S.
Hazard Class: 6.1
UN Number: 3172
Packing Group: II IMO
Shipping Name: TOXINS, EXTRACTED FROM LIVING SOURCES, N.O.S.
Hazard Class: 6.1
UN Number: 3172
Packing Group: II RID/ADR
Shipping Name: TOXINS EXTRACTED FROM LIVING SOURCES, N.O.S.
Hazard Class: 6.1
UN Number: 3172
Packing group: II

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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 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 28A After contact with skin, wash immediately with plenty of water. WGK (Water Danger/Protection) CAS# 124-87-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 124-87-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 124-87-8 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 8/14/1998 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：有毒物品

• 毒性分级：剧毒
• 急性毒性：
  • 腹注-大鼠 LD50: 1.99 毫克/公斤
  • 口服-小鼠 LD50: 15 毫克/公斤

可燃性危险特性：不易燃

储运特性：库房通风、低温干燥；与食品分开储运

灭火剂：水、泡沫、二氧化碳、砂土