3-Pyrrolidinol, 5-cyclohexyl-3-phenyl-, hydrochloride

CAS 5489-13-4 MFCD N/A

化学结构图

5489-13-4
SMILES: Cl.O[C@@]1(c2ccccc2)CN[C@@H](C2CCCCC2)C1

化学属性

Mol. Weight281.86
Mol. FormulaC16H23NO.ClH

别名和识别编码

Wiswesser Line NotationT5MTJ DQ DR& B- AL6TJ &GH
Chemical Name3-Pyrrolidinol, 5-cyclohexyl-3-phenyl-, hydrochloride
Synonym 5-Cyclohexyl-3-phenyl-3-pyrrolidinol hydrochloride
CAS Number5489-13-4
InChIKeyHCJUIKLCTYZMKJ-UHFFFAOYSA-N
PubChem Substance ID200010
InChIInChI=1S/C16H23NO.ClH/c18-16(14-9-5-2-6-10-14)11-15(17-12-16)13-7-3-1-4-8-13;/h2,5-6,9-10,13,15,17-18H,1,3-4,7-8,11-12H2;1H
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安全信息

RTECSUY5560000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 98 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: 7,60,1964

系列性分类

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