Clonazepam

Formula: C₁₅H₁₀ClN₃O₃
Molecular weight: 315.711
IUPAC Standard InChI: InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
IUPAC Standard InChIKey: DGBIGWXXNGSACT-UHFFFAOYSA-N
CAS Registry Number: 1622-61-3
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: 2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-; 2H-1,4-Benzodiazepin-2-one, 5-(o-chlorophenyl)-1,3-dihydro-7-nitro-; Chlonazepam; Rivotril; Ro 5-4023; Cloazepam; Clonopin; Iktorivil; Ro 4-8180; 1,3-Dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benzodiazepin-2-one; 5-(o-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one; 5-(2-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one; Klonopin; Landsen; 7-Nitro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2(1H)-one; Antelepsin; Clonex; Kenoket; Lonazep; NSC 179913; Paxam; 5-(2-Chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 106955-87-7
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	BP-1	250.	2833.	Japp, Garthwaite, et al., 1988	25. m/0.22 mm/0.25 μm, N2
Capillary	DB-1	250.	2806.	Japp, Garthwaite, et al., 1988	30. m/0.53 mm/1.5 μm, N2
Capillary	BP-1	275.	2832.	Japp, Gill, et al., 1987	25. m/0.22 mm/0.25 μm, N2
Capillary	BP-1	275.	2856.	Japp, Gill, et al., 1987	25. m/0.53 mm/1. μm, N2
Packed	SE-30	280.	2878.	Musumarra, Scarlata, et al., 1987	N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	2813.	Schepers, Wijsbeek, et al., 1982	25. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	2934.6	Tretyakov, 2014	30. m/0.25 mm/0.25 μm, He; T_start: 60. C; T_end: 270. C
Capillary	SPB-1	2803.	Christ, Noomano, et al., 1988	30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; T_start: 160. C
Packed	SE-30	2860.	Perrigo and Peel, 1981	N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	SPB-5	220.	2879.	Chiarotti, de Giovanni, et al., 1986	Column length: 30. m; Column diameter: 0.75 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Packed	SE-30	2885.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Capillary	DB-5	2833.	Zamechnik, Ethier, et al., 1989	15. m/0.25 mm/0.25 μm, He, 150. C @ 1. min, 10. K/min; T_end: 260. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	2860.	Bogusz, Bialka, et al., 1986	10. m/0.53 mm/5.2 μm; Program: 100 0C (2 min) 20 0C/min -> 180 0C 7.5 0C/min -> 280 0C (6 min)
Capillary	CP Sil 5 CB	2885.	Bogusz, Bialka, et al., 1986	10. m/0.53 mm/5.2 μm; Program: not specified
Capillary	SPB-1	2814.	Chiarotti, de Giovanni, et al., 1986	He, Chromosorb W(100-120 mesh); Column length: 25. m; Phase thickness: 0.4 μm
Other	Methyl Silicone	2885.	Ardrey and Moffat, 1981	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Japp, Garthwaite, et al., 1988
Japp, M.; Garthwaite, K.; Geeson, A.V.; Osselton, M.D., Collection of Analytical Data for Benzodiazepines and Benzophenones, J. Chromatogr., 1988, 439, 2, 317-339, https://doi.org/10.1016/S0021-9673(01)83844-9 . [all data]

Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D., Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns, J. Forensic Sci., 1987, 32, 6, 1574-1586. [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]

Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A., Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices, J. Forensic Sci., 1982, 27, 1, 49-60. [all data]

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

Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D., Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection, J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84 . [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]

Chiarotti, de Giovanni, et al., 1986
Chiarotti, M.; de Giovanni, N.; Fiori, A., Analysis of Benzodiazepines. I. Chromatographic Identification, J. Chromatogr., 1986, 358, 169-178, https://doi.org/10.1016/S0021-9673(01)90326-7 . [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Zamechnik, Ethier, et al., 1989
Zamechnik, J.; Ethier, J.-C.; Neville, G.A., Benzodiazepines- an extensive collection of mass spectra, J. Can. Soc. Forensic Sci., 1989, 22, 3, 233-259, https://doi.org/10.1080/00085030.1989.10757437 . [all data]

Bogusz, Bialka, et al., 1986
Bogusz, M.; Bialka, J.; Gierz, J.; Klys, M., Use of short, wide-bore capillary columns in GC toxicological screening, J. Anal. Toxicol., 1986, 10, 4, 135-138, https://doi.org/10.1093/jat/10.4.135 . [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

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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