缬氨霉素

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品

缬氨霉素 基本信息

中文名称:
缬氨霉素 
中文别名:
缬氨霉素;
氨基霉素 
英文名称:
Valinomycin
英文别名:
valinomycin;
Valinomycin;
valinomicin;
antibioticn-329b;
VALINOMYCIN;
Valinomycin,Cyclo(D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-α-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl);
BU 226 hydrochloride 
CAS No.:
2001-95-8
分 子 式:
C54H90N6O18
分 子 量:
1111.32
精确分子量:
1110.63000
PSA:
332.40000
MDL:
MFCD00005114
EINECS:
217-896-6
BRN:
78657
InChI:
InChI=1/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42
危险品标志:
Xn,T,T+
风险术语:
R27/28
安全术语:
S28S45S36/S37
分子结构式:
SDS:
查看

缬氨霉素 物化性质

外观与性状:
白色固体
密度:
1.06
熔点:
186-190ºC
沸点:
1321.6ºC at 760 mmHg
闪点:
753.1ºC
折射率:
1.448
蒸汽压:
0mmHg at 25°C
存储条件/存储方法:

密封、在2 ºC -8 ºC下保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

        

其它信息:

1.       性状:粉末

2.       密度(g/mL,25ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):190

5.       沸点(ºC):未确定

6.       沸点(ºC0.8mmHg):未确定

7.       折射率:未确定

8.       闪点(°C):未确定

9.       比旋光度(ºF):31

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,110ºC):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:难溶解于水的

缬氨霉素 安全信息

风险类别:
6.1(a)
危险类别码:
R27/28
安全标志:
S28:接触皮肤之后,立即使用大量皂液洗涤。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
Xn: Harmful;

缬氨霉素 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV9468000
CHEMICAL NAME :
Valinomycin
CAS REGISTRY NUMBER :
2001-95-8
BEILSTEIN REFERENCE NO. :
0078657
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C54-H90-N6-O18
MOLECULAR WEIGHT :
1111.50
WISWESSER LINE NOTATION :
T-36-MV DOV GMV JOV MMV POV SMV VOV B&MV E&OV H&MV K&OVTJ C1 FY1&1 IY1&1 LY1&1 O1 RY1&1 UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85ERAY "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978 Volume(issue)/page/year: 1,325,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
390 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4140 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 12,482,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 46,5518,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985
毒理学数据:

1、急性毒性:大鼠经口LD504mg/kg;大鼠经腹腔LD50800μg/kg;小鼠经口LD502500μg/kg;小鼠经腹腔LD50390μg/kg;小鼠经皮下LD504140μg/kg;小鼠经静脉LD50180μg/kg;小鼠经皮肤接触LD505mg/kg

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

缬氨霉素 MSDS

Name: Valinomycin 96% (HPLC) Material Safety Data Sheet
Synonym: None Known
CAS: 2001-95-8
Section 1 - Chemical Product   MSDS Name:Valinomycin 96% (HPLC) Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2001-95-8 Valinomycin 96% 217-896-6
Hazard Symbols: T+
Risk Phrases: 27/28

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Very toxic in contact with skin and if swallowed.Highly toxic.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be fatal if absorbed through the skin.
Ingestion:
May be fatal if swallowed. May cause irritation of the digestive tract. May cause cardiac disturbances. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. SPEEDY ACTION IS CRITICAL! Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. SPEED IS ESSENTIAL. A DOCTOR MUST BE NOTIFIED AT ONCE. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire.

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. 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. Poison room locked/refrigerator.

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# 2001-95-8: 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 minimize contact with skin.
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 187.00 - 189.00 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: practically insoluble
Specific Gravity/Density:
Molecular Formula: C54H90N6O18
Molecular Weight: 1111.35

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:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2001-95-8: YV9468000 LD50/LC50:
CAS# 2001-95-8: Oral, mouse: LD50 = 2500 ug/kg; Oral, rat: LD50 = 4 mg/kg; Skin, rabbit: LD50 = 5 mg/kg.
Carcinogenicity:
Valinomycin - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: I
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: I

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 27/28 Very toxic in contact with skin and if
swallowed.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
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# 2001-95-8: 3
Canada
CAS# 2001-95-8 is listed on Canada's NDSL List.
CAS# 2001-95-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2001-95-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

缬氨霉素 分子结构与计算化学数据

计算化学数据

1、   疏水参数计算参考值(XlogP):9.1

2、   氢键供体数量:6

3、   氢键受体数量:18

4、   可旋转化学键数量:9

5、   互变异构体数量:24

6、   拓扑分子极性表面积(TPSA):332

7、   重原子数量:78

8、   表面电荷:0

9、   复杂度:1910

10、同位素原子数量: 0

11、确定原子立构中心数量:12

12、不确定原子立构中心数量:0

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

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