2-Methyl-2,3,4,5-Tetrahydro-1H-Pyrido[4,3-b]Indole 2-甲基-2,3,4,5-四氢-1H-吡啶并[4,3-b]吲哚

CAS 5094-12-2 MFCD00460783

化学结构图

5094-12-2
SMILES: CN1CCc2[nH]c3ccccc3c2C1

化学属性

Mol. FormulaC12H14N2
Mol. Weight186.26
Melting Point170.0 to 174.0 deg-C

别名和识别编码

Chemical Name2-Methyl-2,3,4,5-Tetrahydro-1H-Pyrido[4,3-b]Indole
CAS Number5094-12-2
Alfabeta NameMETHYLTETRAHYDROPYRIDOINDOLE HB22345143[]------,,,,
MDL NumberMFCD00460783
Chemical Name Translation2-甲基-2,3,4,5-四氢-1H-吡啶并[4,3-b]吲哚
Wiswesser Line NotationT B656 DN HMT&&J D1
Synonym 2,3,4,5-Tetrahydro-2-methyl-1H-pyrido(4,3-b)indole
Beilstein Registry Number0152265
LabNetwork Molecule IDLN00143487
InChIKeyFYHWPFXPFFPQRT-UHFFFAOYSA-N
Reaxys-RN152265
PubChem Substance ID97424
InChIInChI=1S/C12H14N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,13H,6-8H2,1H3
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分类

  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
RTECSUV0830000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 430 mg/kg
TOXIC EFFECTS :
   Behavioral - analgesia
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 9,436,1966

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
Signal word
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。
  • 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+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol

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 Donors
1
H-bond Acceptors
1
Rotatable Bonds
0
LogP
1

系列性分类

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