(S)-N-Nitroso Anabasine (S)-N-亚硝基假木贼碱(NAB)

CAS 1133-64-8 MFCD01133648

化学结构图

1133-64-8
SMILES: O=NN1CCCC[C@H]1c1cccnc1

化学属性

Mol. Weight191
Mol. FormulaC10H13N3O

别名和识别编码

CAS Number1133-64-8
Chemical Name(S)-N-Nitroso Anabasine
Synonym 1-Nitrosoanabasine N-Nitroso-2-(3'-pyridyl)piperidine NAB 3-[(2S)-1-Nitroso-2-piperidinyl]pyridine (S)-3-(1-Nitroso-2-piperidinyl)pyridine N-Nitrosoanabasine N'-Nitrosoanabasine Pyridine, 3-(1-nitroso-2-piperidinyl)-, (S)-
Chemical Name Translation(S)-N-亚硝基假木贼碱(NAB)
InChIKeyBXYPVKMROLGXJI-UHFFFAOYSA-N
Wiswesser Line NotationT6NTJ ANO B- CT6NJ
PubChem Substance ID7069270
InChIInChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1
MDL Number
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分类

  • Chiral Reagents
  • Heterocycles
  • Mutagenesis Research Chemicals
  • Nicotine Derivatives

产品应用

  • The S-enantiomer metabolite of tobacco, a specific N-nitrosamines with carcinogenic activity.

相关文献及参考

  • Idris, A.M., et al.: Carcinogenesis, 13, 1001 (1992),
  • Toropov, A.A., et al.: Eur. J. Med. Chem.,?45,?3581 (2010),

安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6000 mg/kg/50W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   18,265,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1030 mg/kg/7W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   71,25,1993

RTECSBV4550000

系列性分类

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