3-(Piperidin-1-ylsulfonyl)benzoic acid 3-(哌啶-1-基磺酰基)苯甲酸

CAS 7311-93-5 MFCD00760901

化学结构图

7311-93-5
SMILES: O=C(O)c1cccc(S(=O)(=O)N2CCCCC2)c1

化学属性

Mol. FormulaC12H15NO4S
Mol. Weight269.32
Melting Point179-181 °C
Boiling Point477.6°C at 760 mmHg

别名和识别编码

Chemical Name3-(Piperidin-1-Ylsulfonyl)Benzoic Acid
CAS Number7311-93-5
Alfabeta NamePIPERIDINOSULFONYLBENZENECARBOXYLICACID 3()-
MDL NumberMFCD00760901
Chemical Name Translation3-(哌啶-1-基磺酰基)苯甲酸
LabNetwork Molecule IDLN00149759
PubChem Substance ID767889
InChIInChI=1S/C12H15NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
Synonym 3-(Piperidin-1-ylsulfonyl)benzoic acid {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Piperidin-1-ylsulfonyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(
Canonical SMILESC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
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+P312
  • P301+P317
  • 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）。
  • P330 Rinse mouth. 漱口
  • 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.....
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
1
LogP
1

系列性分类

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