Betamipron 倍他米隆

CAS 3440-28-6 MFCD00037293

化学结构图

3440-28-6
SMILES: O=C(O)CCNC(=O)c1ccccc1

化学属性

Mol. FormulaC10H11NO3
Mol. Weight193.20
Melting Point132 °C
SolubilityDMSO 39 mg/mL Water <1 mg/mL Ethanol 39 mg/mL
Boiling Point469.2 °C at 760 mmHg

别名和识别编码

Chemical NameN-Benzoyl-beta-alanine
CAS Number3440-28-6
Alfabeta NameBENZOYLALANINE BETAN---
MDL NumberMFCD00037293
Synonym Betamipron {LY} Betamipron N-benzoyl-D-alanine N-benzoyl-beta-alanine N-benzoylalanine N-benzoylalanine monosodium salt, (L-Ala)-isomer N-benzoylalanine, (D-Ala)-isomer N-benzoylalanine, (DL-Ala)-isomer N-benzoylalanine, (beta-Ala)-isomer betamipron {} {LY} Betamipron {} {} {LY} Betamipron {} {} {} {LY} Betamipron {} {} {} {} {LY} Betamipron {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Betamipron {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID71651
Reaxys-RN2212769
Chemical Name Translation倍他米隆
Beilstein Registry Number2212769
LabNetwork Molecule IDLN00146865
InChIInChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
Canonical SMILESO=C(O)CCNC(C1=CC=CC=C1)=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; amide; 1fragment
  • {SNA} A - H, Amino Acids, Biochemicals and Reagents, Modified Amino Acids

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

Warnings IRRITANT
WGK Germany3
RTECSAY3272500
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3496 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   NKRZAZ Chemotherapy (Tokyo).  (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki,
   Shinagawa-Ku, Tokyo 141, Japan)  V.1-    1953- Volume(issue)/page/year:
   39(Suppl 3),140,1991

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
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
  • 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+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P317
  • 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.....

其他信息

  • 图谱信息:N-苯甲酰基-beta-丙氨酸(3440-28-6)质谱(MS) N-苯甲酰基-beta-丙氨酸(3440-28-6)红外图谱(IR1) N-苯甲酰基-beta-丙氨酸(3440-28-6)红外图谱(IR2) N-苯甲酰基-beta-丙氨酸(3440-28-6)核磁图( 1 HNMR) N-苯甲酰基-beta-丙氨酸(3440-28-6)核磁图( 13 CNMR)
  • N-苯甲酰基-beta-丙氨酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0099 苯甲酰基-β-丙氨酸 Benzoyl-beta-alanine 5G 405元 2014/06/02 B0099 苯甲酰基-β-丙氨酸 Benzoyl-beta-alanine 25G 1230元
  • Sigma Aldrich:3440-28-6(sigmaaldrich)
  • MOL 文件:3440-28-6.mol
  • TCI Shanghai:苯甲酰基-β-丙氨酸 Benzoyl-beta-alanine,>;98.0%(LC)(T)(3440-28-6)

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Amino Acids 氨基酸
  4. Modified Amino Acids - Amino Acids
  5. A - H - Modified Amino Acids

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