Ammonium, (3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate

CAS 7387-95-3 MFCD N/A

化学结构图

7387-95-3
SMILES: C[N+](C)(C)CCCOc1ccccc1C(O)(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1

化学属性

Mol. Weight547.76
Mol. FormulaC25H30NO2.C7H7O3S

别名和识别编码

Wiswesser Line NotationQXR&R&Y1OR&1K1&1&1 &WSO&R X1
Chemical NameAmmonium, (3-(2-(alpha-hydroxy-alpha-phenylbenzyl)phenoxy)propyl)trimethyl-, toluenesulfonate
Synonym Benzhydrol, 2-(3-(dimethylamino)propoxy)-alpha-phenyl-, methyl
CAS Number7387-95-3
InChIKeyZDNKMBGDYYNHDF-UHFFFAOYSA-M
PubChem Substance ID202053
InChIInChI=1S/C25H30NO2.C7H8O3S/c1-26(2,3)19-12-20-28-24-18-11-10-17-23(24)25(27,21-13-6-4-7-14-21)22-15-8-5-9-16-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13-18,27H,12,19-20H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
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安全信息

RTECSBR1695000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 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: 9,804,1966

系列性分类

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