1-Propanol, 3-dimethylamino-1,1-diphenyl-2-methyl-, propionate, oxalate, hydrate

CAS 4071-29-8 MFCD N/A

化学结构图

4071-29-8
SMILES: CCC(=O)OC(c1ccccc1)(c1ccccc1)C(C)CN(C)C.O=C(O)C(=O)O

化学属性

Mol. Weight424.50
Mol. FormulaC21H27NO2.C2H2O4.1/2H2O

别名和识别编码

Wiswesser Line Notation2VOXR&R&Y1&1N1&1 2 &QVVQ &QH 1/2
Chemical NameBenzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-, propionate, oxalate, hydrate (2:1:1)
Synonym alpha-(2-(Dimethylamino)-1-methylethyl)benzhydrol propionate oxalate 3-Dimethylamino-1,1-diphenyl-2-methyl-1-propionoxypropane oxalate hydrate
CAS Number4071-29-8
InChIKeyBKRSTEXBBFUTHT-UHFFFAOYSA-N
PubChem Substance ID199365
InChIInChI=1S/C21H27NO2.C2H2O4/c1-5-20(23)24-21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;3-1(4)2(5)6/h6-15,17H,5,16H2,1-4H3;(H,3,4)(H,5,6)
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安全信息

RTECSDC8465000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 190 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
   Behavioral - alteration of classical conditioning
   Kidney, Ureter, Bladder - urine volume increased
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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