5-(Hydroxymethyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone 5-(羟甲基)-6-苯基-4,5-二氢-3(2H)-哒嗪酮

CAS 23239-13-6 MFCD01692709

化学结构图

23239-13-6
SMILES: OCC1CC(=O)NN=C1C1C=CC=CC=1

化学属性

Mol. FormulaC11H12N2O2
Mol. Weight204.23
Melting Point163-165°

别名和识别编码

Chemical Name5-(hydroxymethyl)-6-phenyl-4,5-dihydro-3(2H)- pyridazinone
CAS Number23239-13-6
Alfabeta NameHYDROXYMETHYLPHENYLDIHYDROPYRIDAZINONE H564532(())-------,
MDL NumberMFCD01692709
Synonym 4,5-Dihydro-5-(hydroxymethyl)-6-phenyl-3(2H)-pyridazinone
Beilstein Registry Number1573433
PubChem Substance ID329790493
Chemical Name Translation5-(羟甲基)-6-苯基-4,5-二氢-3(2H)-哒嗪酮
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分类

  • {SNA} Alcohols, Amines, Building Blocks, C11, C11 to C30+, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds
  • {KO} Alcohols
  • Alcohols, Amines, Building Blocks, C10 to C11, C11 to C30+, Chemical Synthesis, New Products for Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds

安全信息

Warnings IRRITANT
RTECSUR6370500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 844 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 42,585,1987

WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
2
LogP
6.656010000000000e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  6. C11 to C30+ - Alcohols

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