(-)-Cotinine (-)-可替宁

CAS 486-56-6 MFCD00077696

化学结构图

486-56-6
SMILES: CN1C(=O)CC[C@H]1c1cccnc1

化学属性

Mol. FormulaC10H12N2O
Mol. Weight176
Boiling Point250
Melting Point40-42
Flash Point>110°(230°F)
TSCANo

别名和识别编码

Chemical Name(-)-Cotinine
CAS Number486-56-6
Alfabeta NameCOTININE ()--
MDL NumberMFCD00077696
Synonym (-)-Cotinine (5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (S)-(-)-1-Methyl-5-(3-pyridiyl)-2- (S)-(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone (S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone, S()-1-Methyl-5-(3-pyridyl)-2-pyrrolidone (S)-1-甲基-5-(3-吡啶基)-2-吡咯烷酮 S(-)-1-甲基-5-(3-吡啶基)-2-吡咯烷酮 (S)​-​1-​Methyl-​5-​(3-​pyridyl)​-​2-​pyrrolidinone, S(−)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)- Cotinine Scotine
PubChem Substance ID854019
EC Number207-634-9
Beilstein Registry Number83099
Merck Number14,2553
Chemical Name Translation(-)-可替宁
LabNetwork Molecule IDLN00168073
InChIInChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
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分类

  • 1694 Pharmaceuticals & Personal Care Products, Alkaloids, Alphabetic, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules, C, CI-CY, CO - CZ, Cell Biology, Chemical Structure, Chromatography, Drugs & Metabolites, Drugs of Abuse, EPA, Forensic and Veterinary Standards, Method Specific, Others, Solutions
  • {SNA} 1694 Pharmaceuticals & Personal Care Products, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules, CI-CY, Cell Biology, Cell Sig

产品应用

  • A major metabolite of Nicotine (N412450) in humans. Carcinogen.

相关文献及参考

  • Green, et al., An oral formulation of nicotine for release and absorption in the colon: its development and pharmacokinetics. Br. J. Clin. Pharmacol. 48 , 485-493, (1999) 摘要
  • Merck 14 ,2553
  • Thompson, J.A., et al.: J. Chromatog., 231, 53 (1982); Seeman, J.I., et al.: J. Org. Chem., 51, 1548 (1986)
  • Nicotine metabolite: J. Chromat., 231, 53 (1982).

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes F,T
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSGN1925500
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P312
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Safety Statements
Risk Statements 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 930 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 137,313,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1604 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 137,313,1962

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Method Specific - Analytical Standards
  4. EPA - Method Specific
  5. 1694 Pharmaceuticals & Personal Care Products - EPA
  6. Neats - 1694 Pharmaceuticals & Personal Care Products
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs of Abuse - Forensic and Veterinary Standards
  6. Chemical Structure - Drugs of Abuse
  7. Alkaloids - Chemical Structure
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs of Abuse - Forensic and Veterinary Standards
  6. Chemical Structure - Drugs of Abuse
  7. Others - Chemical Structure
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. C - Alphabetic
  5. CO - CZ - C
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Ion Channels - Cell Signaling and Neuroscience
  5. Ligand-Gated Ion Channels - Ion Channels
  6. Nicotinic Acetylcholine Receptor Modulators - Ligand-Gated Ion Channels
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Neuroscience - Cell Signaling and Neuroscience
  5. Neurotransmission - Neuroscience
  6. Neurotransmitters - Neurotransmission
  7. Cholinergics - Neurotransmitters
  8. Others - Cholinergics
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Heterocyclic Building Blocks - Chiral Building Blocks
  5. Pyrrolidines - Heterocyclic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Heterocyclic Building Blocks - Chiral Building Blocks
  5. Pyridines - Heterocyclic Building Blocks
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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