Atropic acid, 4'-(trifluoromethyl)-, 3-tropanylester, quarterhydrate

CAS 64048-79-9 MFCD01744422

化学结构图

64048-79-9
SMILES: O.O.O.O.CN1[C@@H]2CC(C[C@H]1CC2)OC(=O)C(=C)C1C=CC(=CC=1)C(F)(F)F |&1:6,10|

化学属性

Mol. FormulaC18H20F3NO2.1/4H2O
Mol. Weight343.44

别名和识别编码

Chemical NameAtropic acid, 4'-(trifluoromethyl)-, 3-tropanylester, quarterhydrate
Wiswesser Line NotationT56 A ANTJ A1 GOVYU1&R DXFFF &QH
Synonym 3-Tropanyl 4'-(trifluoromethyl)atropate quarterhydrate 4'-(Trifluoromethyl)atropic acid, 3-tropanyl ester, quarterhydrate
CAS Number64048-79-9
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安全信息

RTECSCK0500000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 256 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: 12,477,1969

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