5-Bromo-1-(tetrahydropyran-2-yl)cytosine

CAS 5580-94-9 MFCD01736007

化学结构图

5580-94-9
SMILES: Nc1nc(=O)n(C2CCCCO2)cc1Br

化学属性

Mol. FormulaC9H12BrN3O2
Mol. Weight274.15

别名和识别编码

Chemical NameCytosine, 5-bromo-1-(tetrahydropyran-2-yl)-
Synonym 5-Bromo-1-(tetrahydropyran-2-yl)cytosine
Wiswesser Line NotationT6OTJ B- AT6NVNJ DZ EE
CAS Number5580-94-9
Beilstein Registry Number1577609
InChIKeyVPNCDRSZEJJPSI-UHFFFAOYSA-N
PubChem Substance ID21758
InChIInChI=1S/C9H12BrN3O2/c10-6-5-13(9(14)12-8(6)11)7-3-1-2-4-15-7/h5,7H,1-4H2,(H2,11,12,14)
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安全信息

RTECSHA6000000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#06979

系列性分类

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