Chloroquine

• Formula: C₁₈H₂₆ClN₃
• Molecular weight: 319.872
• IUPAC Standard InChI: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) Copy

  
• IUPAC Standard InChIKey: WHTVZRBIWZFKQO-UHFFFAOYSA-N Copy
• CAS Registry Number: 54-05-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-; Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-; Aralen; Artrichin; Bipiquin; Chloraquine; Chlorochin; Nivaquine B; Quingamine; Reumachlor; Sanoquin; 3377 RP; N(sup4)-(7-chloro-4-quinolinyl)-N(sup1),N(sup1)-diethyl-1,4-pentanediamine; Amokin; Arthrochin; Avlochlor; Avloclor; Bemaco; Bemasulph; Benaquin; Chemochin; Chingamin; Chloroquina; Chloroquinium; Chlorquin; Cidanchin; Clorochina; Cocartrit; Dichinalex; Elestol; Gontochin; Heliopar; Imagon; Iroquine; Klorokin; Lapaquin; Malaquin; Malaren; Malarex; Mesylith; Neochin; Nivachine; Nivaquine; Pfizerquine; Quinachlor; Quinagamin; Quinagamine; Quinercyl; Quinilon; Quinoscan; Resochen; Resochin; Resoquina; Reumaquin; Roquine; RP 3377; Silbesan; Siragan; Solprina; Sopaquin; SN 6718; SN 7618; Tresochin; Trochin; W 7618; WIN 244; 7-Chloro-4-((4-(diethylamino)-1-methylbutyl)amino)quinoline; Chlorochine; 3377 RP opalate; N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine; Capquin; Cloroquine; Ronaquine; (+/-)-Chloroquine
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • UV/Visible spectrum
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Gas phase ion energetics data

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

Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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References

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

Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C., Measurement of ionization potentials from contact charge transfer spectra, Nature, 1967, 215, 949. [all data]

Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G., Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30, J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154 . [all data]

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]

McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2 . [all data]

Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J., Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology., J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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