630-60-4

630-60-4结构式

常用中文名：g-羊角拗质
常用英文名：g-Strophanthin
CAS号：630-60-4
分子式：C₂₉H₄₄O₁₂
分子量：584.65200
相关类别：原料药循环系统用药抗充血性心力衰竭药
发布时间：2018-04-19 08:00:00
更新时间：2024-01-03 11:41:58
Ouabain是一种选择性的Na+/K+-ATPase抑制剂，与α2 /α3亚基结合，Ki为41 nM/15 nM。

中文名	G毒毛旋花苷
英文名	ouabain
中文别名	G-羊角拗质
英文别名	uabaina Ouabain,3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1,5,11α,14,19-pentahydoxycard-20(22)-enolide ASTROBAIN oubain OUABAIN GRATIBAIN QUABAIN strodival EINECS 211-139-3 uabanin g-strophanthin MFCD00003688

密度	1.1941 (rough estimate)
沸点	561.69°C (rough estimate)
熔点	200°C
分子式	C₂₉H₄₄O₁₂
分子量	584.65200
精确质量	584.28300
PSA	206.60000
外观性状	powder \| white
折射率	-32 ° (C=1, H2O)
储存条件	存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。
稳定性	远离氧化物。
水溶解性	H2O: 10 mg/mL cold
分子结构	1、摩尔折射率：141.17 2、摩尔体积（m³/mol）：384.6 3、等张比容（90.2K）：1163.8 4、表面张力（dyne/cm）：83.7 5、极化率（10^-24cm³）：55.96
计算化学	1、疏水参数计算参考值（XlogP）：-1.7 2、氢键供体数量：8 3、氢键受体数量：12 4、可旋转化学键数量：4 5、拓扑分子极性表面积（TPSA）：207 6、重原子数量：41 7、表面电荷：0 8、复杂度：1080 9、同位素原子数量：0 10、确定原子立构中心数量：0 11、不确定原子立构中心数量：0 12、确定化学键立构中心数量：0 13、不确定化学键立构中心数量：0 14、共价键单元数量：1
更多	1. 性状：白色有光泽片状结晶性粉末。无气味。味苦。 2. 密度（g/mL,25/4℃）： 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：260 5. 沸点（ºC,常压）： 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：[α]25/D −31 to −32.5° in H2O 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,25ºC）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：溶于水、沸水、乙醇、沸乙醇，溶于戊醇和二氧六环，微溶于乙醚、氯仿和乙酸乙酯。

Section I.Chemical Product and Company Identification
Chemical Name g-Strophanthin
Portland OR
Ouabain
Synonym
C29H44O12•8H2O

Chemical Formula
CAS Number630-60-4

Section II.Composition and Information on Ingredients
Chemical NameCAS Number Percent (%)TLV/PELToxicology Data
g-Strophanthin630-60-4---------- Not available.Rat LD50 (intravenous) 14 mg/kg
Mouse LD50 (oral) 5 mg/kg
Mouse LD50 (intraperitoneal) 11
mg/kg
Mouse LD50 (subcutaneous) 5
mg/kg

Section III. Hazards Identification
Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or
Acute Health Effects
death.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
many human organs.

Section IV.First Aid Measures
Eye ContactCheck 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.
Skin ContactIn case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing
and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.Fire and Explosion Data
Not available.
FlammabilityMay be combustible at high temperature.Auto-Ignition
Flammable Limits
Flash PointsNot available.Not available.
Combustion ProductsThese products are toxic carbon oxides (CO, CO2).
Fire Hazards
Not available.
Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
g-Strophanthin

Section VI.Accidental Release Measures
Spill CleanupHighly Toxic material. Light sensitive material.
Stop leak if without risk. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
Instructions
vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition.
Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
Handling and StorageHIGHLY TOXIC. LIGHT SENSITIVE. Keep locked up. Keep away from heat. Mechanical exhaust required. When not in
use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. Do not
Information
breathe dust. Wear suitable protective clothing. If ingested, seek medical advice immediately and show the container or
the label. Treat symptomatically and supportively.
Always store away from incompatible compounds such as oxidizing agents, acids, alkalis (bases).

Section VIII. Exposure Controls/Personal Protection
Engineering ControlsUse 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 ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure LimitsNot available.

Section IX. Physical and Chemical Properties
Solubility
Physical state @ 20°CSolid. (White, Crystalline powder.)Not available.
Not available.
Specific Gravity
Molecular Weight584.65 (Anh)Partition CoefficientNot available.
Boiling PointNot available.Vapor PressureNot applicable.
Melting PointNot available.Vapor DensityNot available.
Not available.VolatilityNot available.
Refractive Index
Critical TemperatureNot available.OdorNot available.
Not available.Not available.
ViscosityTaste

Section X.Stability and Reactivity Data

This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of InstabilityAvoid excessive heat and light.
Incompatibilities
Reactive with strong oxidizing agents, strong acids, strong alkalis (bases).

Section XI. Toxicological Information
RTECS NumberRN3850000
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Rat LD50 (intravenous) 14 mg/kg
Toxicity Data
Mouse LD50 (oral) 5 mg/kg
Mouse LD50 (intraperitoneal) 11 mg/kg
Mouse LD50 (subcutaneous) 5 mg/kg
Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
many human organs.
Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or
Acute Toxic Effects
death.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Continued on Next Page
g-Strophanthin

Section XII.Ecological Information
EcotoxicityNot available.
Not available.
Environmental Fate

Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
DOT ClassificationDOT CLASS 6.1: Toxic material.
PIN Number
Proper Shipping Name
Alkaloids, solid, n.o.s.
Packing Group (PG)II
DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
(EPA)
WHMIS ClassificationOn NDSL
(Canada)
EINECS Number (EEC)
211-139-3
EEC Risk StatementsR23/24/25- Toxic by inhalation, in contact with skin and if swallowed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

有毒，半数致死量（大鼠，静脉）14mg/kg。

生态学数据:

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RN3675000

CHEMICAL NAME :: Ouabain

CAS REGISTRY NUMBER :: 630-60-4

BEILSTEIN REFERENCE NO. :: 0101712

LAST UPDATED :: 199701

DATA ITEMS CITED :: 41

MOLECULAR FORMULA :: C29-H44-O12

MOLECULAR WEIGHT :: 584.73

WISWESSER LINE NOTATION :: L E5 B666TJ A1Q CQ E1 IQ MQ QQ F- DT5OV EHJ& OO- BT6OTJ CQ DQ EQ F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 14 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 125 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 11 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2200 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intracerebral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 69 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 1500 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 100 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 54 ug/kg

TOXIC EFFECTS :: Cardiac - change in rate

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 102 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 5 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 100 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 150 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 100 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 90 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraduodenal

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 820 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 7 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 100 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 252 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 8280 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 210 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 100 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 228 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 220 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD95 - Lethal Dose

ROUTE OF EXPOSURE :: Intraduodenal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 3340 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraarterial

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 40 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 14 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 183 ug/kg

TOXIC EFFECTS :: Cardiac - arrhythmias (including changes in conduction) Cardiac - change in rate Gastrointestinal - nausea or vomiting

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 330 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 400 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 250 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 370 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 513 umol/L

REFERENCE :: MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1986- Volume(issue)/page/year: 3,193,1988 *** REVIEWS *** TOXICOLOGY REVIEW 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,193,1963 TOXICOLOGY REVIEW CHIMAD Chimia. (Postfach 2027, CH-4001 Basel, Switzerland) V.1- 1947- Volume(issue)/page/year: 5,93,1951 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5303 No. of Facilities: 55 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 8551 (estimated) No. of Female Employees: 7627 (estimated)

危害码 (欧洲)	T
风险声明 (欧洲)	23/25-33
安全声明 (欧洲)	45
危险品运输编码	UN 1544 6.1/PG 1
WGK德国	3
RTECS号	RN3850000

1018988-68-5

~88%

630-60-4

文献：Zhang, Hongxing; Sridhar Reddy, Maddi; Phoenix, Serge; Deslongchamps, Pierre Angewandte Chemie - International Edition, 2008 , vol. 47, # 7 p. 1272 - 1275

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