4-(2-oxo-2,3-dihydro-1H-indol-3-yl)butanoic acid 4-(2-羰基-2,3-二氢-1H-吲哚-3-基)丁酸

CAS 2971-18-8 MFCD06411619

化学结构图

2971-18-8
SMILES: O=C(O)CCCC1C(=O)Nc2ccccc21

化学属性

Mol. FormulaC12H13NO3
Mol. Weight219.24
Melting Point169-171 °C

别名和识别编码

Chemical Name4-(2-oxo-2,3-dihydro-1H-indol-3-yl)butanoic acid
CAS Number2971-18-8
Alfabeta NameOXODIHYDROINDOLYLBUTANOICACID H422313()--------,
MDL NumberMFCD06411619
Synonym 4-(2-Oxoindolin-3-yl)butanoic acid {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)butanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(2-Oxoindolin-3-yl)bu
Chemical Name Translation4-(2-羰基-2,3-二氢-1H-吲哚-3-基)丁酸
PubChem Substance ID2764088
InChIInChI=1S/C12H13NO3/c14-11(15)7-3-5-9-8-4-1-2-6-10(8)13-12(9)16/h1-2,4,6,9H,3,5,7H2,(H,13,16)(H,14,15)
LabNetwork Molecule IDLN00140613
Canonical SMILESO=C(O)CCCC1C2=CC=CC=C2NC1=O
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, C12, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P305+P351+P338
Signal word Warning
Safety Statements
  • 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；
Hazard Codes Xn
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
3
Rotatable Bonds
4
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  5. C12 - Indoles

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