Piperidinium, 1-(4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)-1-methyl-, iodide

CAS 1054-91-7 MFCD01699912

化学结构图

1054-91-7
SMILES: COc1ccc(OC)c(C(O)(CC(C)[N+]2(C)CCCCC2)c2ccccc2)c1.[I-]

化学属性

Mol. FormulaC24H33NO3.I
Mol. Weight510.48

别名和识别编码

Chemical NameYS 3646
Wiswesser Line NotationT6KTJ AY1&1XQR&R BO1 EO1& A1 &I
Synonym 1-(4-(2,5-Dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)-1-methylpiperidinium iodide YS 3646
CAS Number1054-91-7
InChIKeyJWSCBJQDLPWEKU-UHFFFAOYSA-M
PubChem Substance ID121318
InChIInChI=1S/C24H34NO3.HI/c1-19(25(2)15-9-6-10-16-25)18-24(26,20-11-7-5-8-12-20)22-17-21(27-3)13-14-23(22)28-4;/h5,7-8,11-14,17,19,26H,6,9-10,15-16,18H2,1-4H3;1H/q+1;/p-1
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安全信息

RTECSTN4939100 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 176 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 15,1279,1965

系列性分类

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