Barbituric acid, 5-allyl-5-(2-hydroxypropyl)-

CAS 2537-29-3 MFCD00867997

化学结构图

2537-29-3
SMILES: C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O

化学属性

Mol. FormulaC10H14N2O4
Mol. Weight226.26

别名和识别编码

Chemical NameBarbituric acid, 5-allyl-5-(2-hydroxypropyl)-
Synonym proxibarbal Hydroxydial 5-Allyl-5-((R,S)-2-hydroxy-propyl)-pyrimidine-2,4,6-trione HH 184 5-Allyl-5-(2-hydroxypropyl)barbituric acid 5-Allyl-5-(beta-hydroxypropyl)malonylurea Proxibarbital Ipronal Kwas 5-allilo-5-(beta-hydroksy-propylo)barbiturowy 5-(2-Hydroxypropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Centralgyl Proxibarbal Axeen 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxypropyl)-5-(2-propenyl)- 5-Allilo-5-(beta-hydroksypropylo)-barbiturowy Centralgol
Wiswesser Line NotationT6VMVMV FHJ F2U1 F1YQ1
CAS Number2537-29-3
Beilstein Registry Number0219840
PubChem Substance ID17336
InChIInChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 6RingOnly; 6ring; urea; amide; lactame; alcohol; racemate; 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.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSCP8575000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AITDAQ Archiwum Immunologii i Terapii Doswiadczalnej.  (Warsaw, Poland)
   V.1-9, 1953-61.  For publisher information, see AITEAT.
   Volume(issue)/page/year: 7,95,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AITDAQ Archiwum Immunologii i Terapii Doswiadczalnej.  (Warsaw, Poland)
   V.1-9, 1953-61.  For publisher information, see AITEAT.
   Volume(issue)/page/year: 6,749,1958

系列性分类

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