(3-Carboxypropyl)Trimethylammonium Chloride 3-羧基-N,N,N-三甲基丙-1-铵氯化物

CAS 6249-56-5 MFCD00011905

化学结构图

6249-56-5
SMILES: C[N+](C)(C)CCCC(=O)O.[Cl-]

化学属性

Mol. FormulaC₇H₁₆ClNO₂
Mol. Weight181.66
Melting Point208 - 210°C
Boiling Point
Flash Point-

别名和识别编码

Chemical Name(3-Carboxypropyl)Trimethylammonium Chloride
CAS Number6249-56-5
Synonym γ-丁基甜菜碱 盐酸盐 Deoxycarnitine 盐酸盐 (3-Carboxypropyl)trimethylammonium Chloride (3-Carboxypropyl)trimethylammonium chloride 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, chloride 3-Carboxy-N,N,N-trimethyl-1-propanaminium Chloride 3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride 4-N-trimethylaminobutyrate N-Trimethyl-?-aminobutyric Acid Chloride N-trimethyl-GABA gamma-Butyrobetain-chlorid gamma-Butyrobetaine Hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number-
PubChem Substance ID22620
Chemical Name Translation3-羧基-N,N,N-三甲基丙-1-铵氯化物
InChIKeyGNRKTORAJTTYIW-UHFFFAOYSA-N
Wiswesser Line NotationQV3K1&1&1 &Q &G
LabNetwork Molecule IDLN00243990
InChIInChI=1S/C7H15NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H
Canonical SMILES-
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分类

  • Intermediates
  • Aliphatics
  • {SNA} Ammonium Salts, Chemical Synthesis, Phase Transfer Catalysts, Synthetic Reagents

产品应用

  • ?-Butyrobetaine is a synthetic carnitine related compound used as a transporter substrate in the cloning and sequencing of human carnitine transporter 2 (CT2).

相关文献及参考

  • [2]. Susumu Ogawa, et al. The Dynamics of Carnitine, γ-butyrobetaine and Trimethylamine N-oxide in Diabetics and the Effects of Changes in Renal Function. Ogawa et al., J Nephrol Ren Dis 2017, 1:2
  • Enomoto, A. et al.: J. Biol. Chem., 277, 36262 (2002);
  • [1]. Koeth RA, et al. γ-Butyrobetaine is a proatherogenic intermediate in gut microbial metabolism of L-carnitine to TMAO. Cell Metab. 2014 Nov 4;20(5):799-812.
  • [1]. Koeth RA, et al. γ-Butyrobetaine is a proatherogenic intermediate in gut microbial metabolism of L-carnitine to TMAO. Cell Metab. 2014 Nov 4;20(5):799-812.
  • [2]. Susumu Ogawa, et al. The Dynamics of Carnitine, γ-butyrobetaine and Trimethylamine N-oxide in Diabetics and the Effects of Changes in Renal Function. Ogawa et al., J Nephrol Ren Dis 2017, 1:2

安全信息

RTECSBP3850000
WGK Germany3
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。
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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 Warning
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
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       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - fluid intake
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   ABMGAJ Acta Biologica et Medica Germanica.  (Berlin, Ger. Dem. Rep.) V.1-41,
   1958-82.  For publisher information, see BBIADT. Volume(issue)/page/year:
   3,28,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 475 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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/year: 145,233,1963

Storage condition +4 2-8°C, sealed storage, away from moisture 4 4°C, Hygroscopic

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Phase Transfer Catalysts 相转移催化剂
  4. Ammonium Salts - Phase Transfer Catalysts
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Phase Transfer Catalysts 相转移催化剂
  4. Ammonium Salts - Phase Transfer Catalysts
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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