Dimethylphenobarbital

CAS 730-66-5 MFCD00596758

化学结构图

730-66-5
SMILES: CCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O

化学属性

Mol. FormulaC14H16N2O3
Mol. Weight260.32

别名和识别编码

Chemical NameDimethylphenobarbital
Synonym 1,3-Dimethyl-5-ethyl-5-phenylbarbituric acid 1,3-Dimethylphenobarbital 1,3-Dimethylphenobarbitone 1,3-dimethylphenobarbital 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-ethyl-5-phenyl- 5-Ethyl-1,3-dimethyl-5-phenyl-pyrimidine-2,4,6-trione Dimethylphenobarbital N,N'-Dimethylphenobarbital N,N-dimethylphenobarbital dimethylphenobarbital dimethylphenobarbital, 138 (2-(13)C-1,3-(15))N2-labeled
Wiswesser Line NotationT6VNVNV FHJ B1 D1 F2 FR
CAS Number730-66-5
Beilstein Registry Number0268343
InChIKeyRPJARFKGODFVHL-UHFFFAOYSA-N
PubChem Substance ID12897
InChIInChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; 6RingOnly; 6ring; urea; amide; lactame; 1fragment

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

安全信息

RTECSCQ4079000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >250 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
   Behavioral - sleep
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: 16,1378,1973

系列性分类


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