Bethanechol Chloride 氯贝胆碱氯

CAS 590-63-6 MFCD00055224

化学结构图

590-63-6
SMILES: CC(C[N+](C)(C)C)OC(N)=O.[Cl-]

化学属性

Mol. FormulaC7H17ClN2O2
Mol. Weight197
TSCAYes
Melting Point214.0 to 218.0 deg-C
Appearance crystalline
SolubilityH2O: 1.7 g/mL stable for several days at 4°C.

别名和识别编码

Chemical NameBethanechol Chloride
MDL NumberMFCD00055224
CAS Number590-63-6
Synonym (2-Hydroxypropyl)trimethylammonium chloride carbamate (2-Hydroxypropyl)trimethylammonium chloride carbamate (6CI) 1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride 2-((aminocarbonyl)oxy)-n,n,n-trimethyl-1-propanaminiuchloride 2-Carbamoyloxypropyltrimethylammonium chloride Bethanechol Bethanechol Chloride Bethanechol chloride Bethanechol chloride USP Bethanecol Carbaminoyl, beta-methylcholine chloride Carbamyl-β-methylcholine chloride Carbamyl-beta-methylcholine chloride Carbamyl-β-methylcholine chloride Carbamylmethylcholine chloride Chloride, Bethanechol Duvoid Hermes, Myo Myo Hermes Myocholine Myotonachol Myotonine PMS Bethanechol Chloride PMS-Bethanechol Chloride Urechol
PubChem Substance ID11548
EC Number209-686-8
Merck Number1185
Chemical Name Translation氯贝胆碱氯
Reaxys-RN3731819
Wiswesser Line NotationZVOY1&1K1&1&1 &Q &G
Beilstein Registry Number3731819
LabNetwork Molecule IDLN01283442
InChIInChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H
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分类

  • {SNA} Agonists, Cholinergics, Neuroscience, Neurotransmission, Neurotransmitters, 细胞信号转导和神经科学, 细胞生物学
  • {SNA} Agonists, Bioactive Small Molecules, C-CH, Cell Biology, Cell Signaling and Neuroscience, Cholinergics, Neuroscience, Neurotransmission, Neurotransmitters
  • {SNA} Agonists, Bioactive Small Molecules, C-CH, Cell Signaling and Neuroscience, Cholinergics, Neuroscience, Neurotransmission, Neurotransmitters, 细胞生物学

相关文献及参考

  • [2]. Julia Yuen Hang Liu, et al. Acetylcholine exerts inhibitory and excitatory actions on mouse ileal pacemaker activity: role of muscarinic versus nicotinic receptors. Am J Physiol Gastrointest Liver Physiol. 2020 Jul 1;319(1):G97-G107.
  • [3]. M J Fregly, et al. Bethanechol-induced water intake in rats: possible mechanisms of induction. Pharmacol Biochem Behav. 1982 Oct;17(4):727-32.
  • [1]. Inderbir S. Padda, et al. Bethanechol. Treasure Island (FL): StatPearls Publishing; 2020 Jan-.
  • [1]. Inderbir S. Padda, et al. Bethanechol. Treasure Island (FL): StatPearls Publishing; 2020 Jan-.
  • [2]. Julia Yuen Hang Liu, et al. Acetylcholine exerts inhibitory and excitatory actions on mouse ileal pacemaker activity: role of muscarinic versus nicotinic receptors. Am J Physiol Gastrointest Liver Physiol. 2020 Jul 1;319(1):G97-G107.
  • [3]. M J Fregly, et al. Bethanechol-induced water intake in rats: possible mechanisms of induction. Pharmacol Biochem Behav

安全信息

GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
WGK Germany3
RTECSBR5425000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Hazard Codes 9
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Storage condition 0-10°C 2-8°C
Precautionary statements
  • 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。
  • P301+P312
  • P301+P312+P330
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LD50 - Lethal dose, 50 perce

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 58,337,1936

{haz

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 58,337,1936

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Human
DOSE/DURATION           : 130 mg/kg
TOXIC EFFECTS :
   Skin and Appendages - dermatitis, other (after systemic exposure)
   Skin and Appendages - sweating
REFERENCE :
   34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York,
   Academic Press, Inc., 1969  Volume(issue)/page/year: -,130,1969

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 13 mg/kg
TOXIC EFFECTS :
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/ye

UN Number 3077
Packing GroupIII

其他信息

  • MOL 文件:590-63-6.mol
  • Sigma Aldrich:590-63-6(sigmaaldrich)
  • color:white
  • 用途一:抗胆碱药，对平滑肌兴奋作用较强。
  • 图谱信息:氯贝胆碱(590-63-6)红外图谱(IR2) 氯贝胆碱(590-63-6)红外图谱(IR1)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. C-CH - Bioactive Small Molecules
  1. Functional Group 官能团索引
  2. quaternary ammonium salt
  1. Medical Research Areas
  2. GPCR & G Protein
  3. mAChR  (毒蕈碱型乙酰胆碱受体)

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