Clobazam
- Formula: C16H13ClN2O2
- Molecular weight: 300.740
- IUPAC Standard InChI: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
- IUPAC Standard InChIKey: CXOXHMZGEKVPMT-UHFFFAOYSA-N
- CAS Registry Number: 22316-47-8
- 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: 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-1-methyl-5-phenyl-; Chlorepin; Clorepin; H 4723; HR 376; LM 2717; RU-4723; Urbanyl; 1-Phenyl-5-methyl-8-chloro-1,2,4,5-tetrahydro-2,4-dioxo-3H-1,5-benzodiazepine; 7-Chloro-1-methyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione; Frisium; Urbadan; Clobazepam; NSC 336279
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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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | BP-1 | 250. | 2582. | Japp, Garthwaite, et al., 1988 | 25. m/0.22 mm/0.25 μm, N2 |
| Capillary | SPB-1 | 250. | 2565. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2647.6 | Tretyakov, 2014 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SPB-5 | 220. | 2605. | Chiarotti, de Giovanni, et al., 1986 | Column length: 30. m; Column diameter: 0.75 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 2582. | MHA, 9999 | Tstart: 100. C; Tend: 300. C |
| Capillary | DB-5 | 2582. | Zamechnik, Ethier, et al., 1989 | 15. m/0.25 mm/0.25 μm, He, 150. C @ 1. min, 10. K/min; Tend: 260. C |
| Packed | SE-30 | 2559. | Chiarotti, de Giovanni, et al., 1986 | He, Chromosorb W(100-120 mesh), 200. C @ 2. min, 4. K/min, 285. C @ 10. min; Column length: 2. m |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 2557. | Chiarotti, de Giovanni, et al., 1986 | He, Chromosorb W(100-120 mesh); Column length: 25. m; Phase thickness: 0.4 μm |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Tretyakov, 2014
Tretyakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [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]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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