Inositol niacinate (1R,2r,3S,4R,5s,6S)-环己烷-1,2,3,4,5,6-己基六烟酸酯

CAS 6556-11-2 MFCD00006387

化学结构图

6556-11-2
SMILES: O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1

化学属性

Mol. FormulaC42H30N6O12
Mol. Weight810.72
Melting Point254-256 ºC

别名和识别编码

Chemical NameInositol Nicotinate
MDL NumberMFCD00006387
CAS Number6556-11-2
Synonym Dilcit Dilexpal Esantene Hexanicit Hexanicotinoyl inositol Hexanicotol Hexopal Hämovannad INOSITOL HEXANICOTINATE INOSITOL NIACINATE INOSITOL NICOTINATE INOSITOLI NICOTINAS Inositol Niacinate Inositol hexanicotinate Inositol hexanicotinate; Inositol hexa-3-pyridinecarboxylate Inositol niacinate MYO-INOSITOL HEXANICOTINATE Mesonex Mesotal Nicolip Palohex Phorilingual Tolanate dilcit dilexpal esantene hexani hexanicit hexanicotinate,myo-inosito hexanicotinoylinositol i inositol hexanicotinate inositol nicotinate inositolniaci
PubChem Substance ID3720
EC Number229-485-9
Chemical Name Translation(1R,2r,3S,4R,5s,6S)-环己烷-1,2,3,4,5,6-己基六烟酸酯
Merck Number13,5002
Beilstein Registry Number0077649
InChIInChI=1S/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
Canonical SMILESO=C(C1=CC=CN=C1)O[C@H]2[C@@H](OC(C3=CC=CN=C3)=O)[C@@H](OC(C4=CC=CN=C4)=O)[C@H](OC(C5=CC=CN=C5)=O)[C@@H](OC(C6=CC=CN=C6)=O)[C@@H]2OC(C7=CC=CN=C7)=O
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分类

  • {SA} Biochemicals and Reagents, Carbohydrates, Carbohydrates A to Z, Carbohydrates H-L, Monosaccharide

安全信息

WGK Germany2
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSNM7535400
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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       : 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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose v

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       : 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(

其他信息

  • 用途二:降血脂药，具有降低胆固醇及扩张未稍血管作用。
  • MSDS 信息:Inositol nicotinate(6556-11-2).msds
  • Sigma Aldrich:6556-11-2(sigmaaldrich)
  • MOL 文件:6556-11-2.mol
  • 用途一:降血脂药，具有降低胆固醇及扩张末梢血管作用

系列性分类

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