3,8-Diazabicyclo(3.2.1)octane, 8-propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-, hydrochloride

CAS 1794-43-0 MFCD N/A

化学结构图

1794-43-0
SMILES: CCC(=O)N1[C@H]2CC[C@H]1CN(C/C=C/c1cc(OC)c(OC)c(OC)c1)C2.Cl

化学属性

Mol. Weight410.99
Mol. FormulaC21H30N2O4.ClH

别名和识别编码

Wiswesser Line NotationT56 A AN GNTJ AV2 G2U1R CO1 DO1 EO1 &GH
Chemical Name3,8-Diazabicyclo(3.2.1)octane, 8-propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-, hydrochloride
Synonym 8-Propionyl-3-(3-(3,4,5-trimethoxyphenyl)allyl)-3,8-diazabicyclo(3.2.1)octane hydrochloride
CAS Number1794-43-0
InChIKeyDTEQODYKKIEQPB-UHDJGPCESA-N
PubChem Substance ID6438248
InChIInChI=1S/C21H30N2O4.ClH/c1-5-20(24)23-16-8-9-17(23)14-22(13-16)10-6-7-15-11-18(25-2)21(27-4)19(12-15)26-3;/h6-7,11-12,16-17H,5,8-10,13-14H2,1-4H3;1H/b7-6+;
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安全信息

RTECSHM0620000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 8,326,1965

系列性分类

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