Pyrimidine, 4-(methylamino)-2-(4-piperonyl-1-piperazinyl)-, dimethanesulfonate, hydrate

CAS 3763-42-6 MFCD N/A

化学结构图

3763-42-6
SMILES: CNc1ccnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O

化学属性

Mol. Weight505.61
Mol. FormulaC17H21N5O2.2CH4O3S.H2O

别名和识别编码

Wiswesser Line NotationT56 BO DO CHJ G1- AT6N DNTJ D- BT6N CNJ DM1 &WSQ&1 2&QH
Chemical NamePyrimidine, 4-(methylamino)-2-(4-piperonyl-1-piperazinyl)-, dimethanesulfonate, hydrate
Synonym 4-(Methylamino)-2-(4-piperonyl-1-piperazinyl)pyrimidine
CAS Number3763-42-6
InChIKeyRKHXXHNTPAKQBK-UHFFFAOYSA-N
PubChem Substance ID199142
InChIInChI=1S/C17H21N5O2.2CH4O3S/c1-18-16-4-5-19-17(20-16)22-8-6-21(7-9-22)11-13-2-3-14-15(10-13)24-12-23-14;2*1-5(2,3)4/h2-5,10H,6-9,11-12H2,1H3,(H,18,19,20);2*1H3,(H,2,3,4)
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安全信息

RTECSUV9324000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Vascular - regional or general arteriolar or venous dilation
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: 11,1151,1968

系列性分类


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