1-Propanol, 3-((3,4-dimethoxyphenethyl)methylamino)-1,1-diphenyl-2-methyl-, oxalate, hydrate

CAS 4753-13-3 MFCD04753133

化学结构图

4753-13-3
SMILES: COc1ccc(CCN(C)CC(C)C(O)(c2ccccc2)c2ccccc2)cc1OC.O=C(O)C(=O)O

化学属性

Mol. Weight527.67
Mol. FormulaC27H33NO3.C2H2O4.H2O

别名和识别编码

Wiswesser Line NotationQXR&R&Y1&1N1&2OR CO1 DO1 &QVVQ &QH
Chemical NameBenzhydrol, alpha-(2-((3,4-dimethoxyphenethyl)methylamino)-1-methylethyl)-, oxalate, hydrate
Synonym alpha-(2-((3,4-Dimethoxyphenethyl)methylamino)-1-methylethyl)benzhydrol
CAS Number4753-13-3
InChIKeyGQHDAJQJTMOJCK-UHFFFAOYSA-N
PubChem Substance ID199687
InChIInChI=1S/C27H33NO3.C2H2O4/c1-21(20-28(2)18-17-22-15-16-25(30-3)26(19-22)31-4)27(29,23-11-7-5-8-12-23)24-13-9-6-10-14-24;3-1(4)2(5)6/h5-16,19,21,29H,17-18,20H2,1-4H3;(H,3,4)(H,5,6)
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安全信息

RTECSDC8436700 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1 gm/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: 8,836,1965

系列性分类

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