肌醇烟酸酯

肌醇烟酸酯 基本信息
CAS号 6556-11-2 分子式 C42H30N6O12
分子量 810.72100 精确质量  810.19200
PSA  235.14000 LogP  3.72360

基本信息 展开↓

CAS号:
6556-11-2
3D弹球模型:
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分子式:
C42H30N6O12
分子量:
810.72100
中文名称:
肌醇烟酸酯
英文名称:
inositol hexanicotinate
中文别名:
肌醇烟酸酯;
烟酸肌醇酯
英文别名:
inositol hexanicotinate;
[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate;
myo-Inositol hexanicotinate;
Inositoli nicotinas;
inositol hexnicotinate;
Hexanicotol;
hexa-O-nicotinoyl-myo-inositol;
Hexanicotinoyl inositol;
Inositol niacinate;
Mesotal;
Hamovannad;
Hexa-O-nicotinoyl-myo-inosit;
Inositol nicotinate;
Dilexpal;
hexa-3-pyridinecarboxylate
精确分子量/精确质量:
810.19200
极性分子表面积/PSA:
235.14000
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。
EINECS:
229-485-9
InChI:
InChI=1/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H

生产制备方法及用途展开↓

制备方法


临床上现用于高脂血症、冠心病、各类末梢血管障碍性疾病(如闭塞性动脉硬化症、肢端动脉痉挛症、冻伤、血管性偏头痛等)的辅助治疗。具有降低胆固醇及扩张末梢血管作用,用于高胆固醇血症及动脉粥样硬化症。

用途简介


物化性质展开↓

外观与性状:
白色粉末
密度:
1.5g/cm3
熔点:
254-256ºC
沸点:
897ºC at 760 mmHg
闪点:
496.3ºC
折射率:
1.674

安全信息展开↓

海关代码:
2933990090
危险类别码:
R36/37/38
安全说明:
S26-S36
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 10400-19-8

    吡啶-3-羧酸酰氯

  • +

  • 87-89-8

    肌醇

  • 6556-11-2

    肌醇烟酸酯

  • 59-67-6

    烟酸

  • 6556-11-2

    肌醇烟酸酯

  • 87-89-8

    肌醇

  • +

  • 20260-53-1

    烟酰氯盐酸盐

  • 6556-11-2

    肌醇烟酸酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NM7535400
CHEMICAL NAME :
Inositol, hexanicotinate, myo-
CAS REGISTRY NUMBER :
6556-11-2
BEILSTEIN REFERENCE NO. :
0077649
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C42-H30-N6-O12
MOLECULAR WEIGHT :
810.78

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 :
>20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
268 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>30 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,149,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6400 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,149,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
345 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Inositol hexanicotinate        Catalog    
    Common Name/
    Number(s).
    Trade Name
    CAS#        6556-11-2    
    Manufacturer
    RTECS        NM7535400    
    SPECTRUM CHEMICAL MFG. CORP.
    TSCA        TSCA 8(b) inventory: No    
    products were found.
    Commercial Name(s)        Not available.    
    CI# Not available.
    Synonym        Hexanicotinyl cis-1,2,3,5-trans-4,6-cyclohexane    
    IN CASE OF EMERGENCY
    Not available.
    Chemical Name
    Chemical Family        Not available.        CALL (310) 516-8000    
    C42H30N6O12
    Chemical Formula
    SPECTRUM CHEMICAL MFG. CORP.

Section 2.Composition and Information on Ingredients
    Exposure Limits
    TWA (mg/m3)        STEL (mg/m3) CEIL (mg/m3)    
    Name        CAS #        % by Weight    
    1) Inositol hexanicotinate        6556-11-2        100    
    Toxicological Data        Not applicable.    
    on Ingredients

Section 3. Hazards Identification
    Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of
    inhalation.
    Potential Chronic Health        Hazardous in case of ingestion.    
    Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation.
    Effects
    CARCINOGENIC EFFECTS: Not available.
    MUTAGENIC EFFECTS: Not available.
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Inositol hexanicotinate

Section 4. First Aid Measures
    Eye Contact        No known effect on eye contact, rinse with water for a few minutes.    
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin    
    with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
    Cover the irritated skin with an emollient. If irritation persists, seek medical attention. Wash contaminated
    clothing before reusing.
    Serious Skin Contact        Not available.    
    Inhalation        Allow the victim to rest in a well ventilated area. Seek immediate medical attention.    
    Serious Inhalation        Not available.    
    Ingestion        Do not induce vomiting. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not    
    breathing, perform mouth-to-mouth resuscitation. Seek immediate medical attention.
    Serious Ingestion        Not available.    

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.    
    These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
    Products of Combustion
    Fire Hazards in Presence of Not available.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        Not available.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

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.
    Inositol hexanicotinate

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the    
    residue under a fume hood. Ground all equipment containing material. Do not breathe dust.
    Storage        Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly    
    closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
    and away from strong oxidizing agents.

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.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid.        Not available.    
    Odor
    Taste        Not available.    
    Molecular Weight        810.7 g/mole    
    Color        Not available.    
    pH (1% soln/water)        Not available.    
    Boiling Point        Decomposes.    
    Melting Point        254.5°C (490.1°F)    
    Critical Temperature        Not available.    
    Not available.
    Specific Gravity
    Vapor Pressure        Not applicable.    
    Not available.
    Vapor Density
    Volatility        Not available.    
    Not available.
    Odor Threshold
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Not available.
    Dispersion Properties
    Solubility        Not available.    

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Instability Temperature        Not available.    
    Conditions of Instability        Not available.    
    Incompatibility with various        Not available.    
    substances
    Corrosivity        Non-corrosive in presence of glass.    
    Inositol hexanicotinate
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        No.    

Section 11. Toxicological Information
    Routes of Entry        Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on
    Hazardous in case of ingestion.
    Humans        Slightly hazardous in case of skin contact (irritant), of inhalation.    
    Special Remarks on
    Not available.
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Not available.    
    Toxic Effects on Humans

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

Section 13. Disposal Considerations
    Waste Disposal

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

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: No products were found.
    Federal and State
    Regulations
    California
    Proposition 65
    Warnings
    Other Regulations        Not available..    
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according    
    to the EU regulations.
    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.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.
    Safety glasses.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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