Heptabarbital

• Formula: C₁₃H₁₈N₂O₃
• Molecular weight: 250.2936
• IUPAC Standard InChI: InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18) Copy

  
• IUPAC Standard InChIKey: PAZQYDJGLKSCSI-UHFFFAOYSA-N Copy
• CAS Registry Number: 509-86-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-; Barbituric acid, 5-(1-cyclohepten-1-yl)-5-ethyl-; G 475; Heptabarb; Heptabarbitone; Heptabarbum; Heptadorm; Heptamal; Medapan; Medomin; Medomine; Noctyn; 5-(1-Cyclohepten-1-Yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-(1-Cyclohepten-1-yl)-5-ethylbarbituric acid; Cycloheptenylethylbarbituric acid; Cycloheptenylethylmalonylurea; 5-Ethyl-5-cycloheptenylbarbituric acid; 5-Ethyl-5-(1'-cycloheptenyl)-barbituric acid; Heptbarbital; 5-(Cyclohepten-1-yl)-5-ethylbarbituric acid
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• Information on this page:
  • Kovats' RI, non-polar column, isothermal
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Kovats' RI, non-polar column, isothermal

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

References

Go To: Top, Kovats' RI, non-polar column, isothermal, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R., Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns, J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5 . [all data]

Stead, Gill, et al., 1982
Stead, A.H.; Gill, R.; Evans, A.T.; Moffat, A.C., Predictions of gas chromatographic retention characteristics of barbiturates from molecular structure, J. Chromatogr., 1982, 234, 2, 277-283, https://doi.org/10.1016/S0021-9673(00)81866-X . [all data]

Berninger and Möller, 1977
Berninger, H.; Möller, M.R., Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln, Arch. Toxicol., 1977, 37, 4, 295-305, https://doi.org/10.1007/BF00330821 . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, isothermal, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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