Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate

CAS 1505-33-5 MFCD01505335

化学结构图

1505-33-5
SMILES: CCCC1(c2cccc(OC(=O)C(C)C)c2)CCN(C)C1

化学属性

Mol. FormulaC18H27NO2
Mol. Weight289.46

别名和识别编码

Chemical NamePhenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate
Chemicalbook IDCB12144783
Wiswesser Line NotationT5NTJ A1 C3 CR COVY1&1
Synonym 3-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol isobutyrate Phenol, 3-(1-methyl-3-propyl-3-pyrrolidinyl)-, isobutyrate m-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol 2-methylpropionate 3-(3-(1-Methyl-3-propyl)pyrrolidyl)phenyl 2-methylpropionate 1-Methyl-3-(m-2-methylpropionoxyphenyl)-3-propylpyrrolidine 2-Methylpropionic acid 3-(1-methyl-3-propyl-3-pyrrolidyl)phenyl ester
CAS Number1505-33-5
Beilstein Registry Number1387913
InChIKeyMJMYFJLOESUOLS-UHFFFAOYSA-N
PubChem Substance ID200294
InChIInChI=1S/C18H27NO2/c1-5-9-18(10-11-19(4)13-18)15-7-6-8-16(12-15)21-17(20)14(2)3/h6-8,12,14H,5,9-11,13H2,1-4H3
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安全信息

RTECSSM1308000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 103 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: 8,316,1965

系列性分类

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