Dothiepin

• Formula: C₁₉H₂₁NS
• Molecular weight: 295.442
• IUPAC Standard InChI: InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ Copy

  
• IUPAC Standard InChIKey: PHTUQLWOUWZIMZ-GZTJUZNOSA-N Copy
• CAS Registry Number: 113-53-1
• 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: 1-Propanamine, 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-; Dosulepin; Dibenzo[b,e]thiepin, 1-propanamine deriv.; Dibenzo[b,e]thiepin-Δ11(6H),γ-propylamine, N,N-dimethyl-; Dosulepine; IZ 914; Prothiaden; Prothiadene; Propylamine, N,N-dimethyl-3-(dibenzo(b,e)thiepin-Δ(11(6H),γ)-; 3-Dibenzo(b,e)thiepin-11(6H)-ylidene-N,N-dimethyl-1-propamine; 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin; N,N-Dimethyldibenzo(b,e)thiepin-Δ11(6H,γ-propylamine; Prothiaden spofa; 3-Dibenzo[b,e]thiepin-11(6H)-ylidine-N,N-dimethyl-propanamine; Dothep
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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, temperature ramp

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

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

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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.

Bickeboeller-Friedrich and Maurer, 2001
Bickeboeller-Friedrich, J.; Maurer, H.H., Screening for detection of new antidepressants, neuroleptics, hypnotics, and their metabolites in urine by GC-MS developed using rat liver microsomes, Ther. Drug Monit., 2001, 23, 1, 61-70, https://doi.org/10.1097/00007691-200102000-00012 . [all data]

Tretyakov, 2014
Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Stowell and Wilson, 1987
Stowell, A.; Wilson, L.W., A simple approach to the interlaboratory transfer of drug retention indices determined by temperature programmed capillary gas chromatography, J. Forensic Sci., 1987, 32, 5, 1214-1220. [all data]

Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A., The significance of the retention index in toxicologic analysis II, Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [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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