Prazepam
- Formula: C19H17ClN2O
- Molecular weight: 324.804
- IUPAC Standard InChIKey: MWQCHHACWWAQLJ-UHFFFAOYSA-N
- CAS Registry Number: 2955-38-6
- 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, 7-chloro-1-(cyclopropylmethyl)-1,3-dihydro-5-phenyl-; Demetrin; W 4020; K-373; Lysanxia; Trepidan; Verstran; 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(cyclopropylmethyl)-5-phenyl-; 7-Chloro-1-(cyclopropylmethyl)-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one; 7-Chloro-1-cyclopropylmethyl-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one; Centrax; Prazeene; Prazene; Sedapran; Settima; NSC 277179; 7-Chloro-1-(cyclopropylmethyl)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 1-(Cyclopropylmethyl)-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one (prazepam)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Virginia Division of Forensic Science |
NIST MS number | 250562 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 250. | 2652. | Dimov and Moskovkina, 1991 | |
Capillary | BP-1 | 250. | 2676. | Japp, Garthwaite, et al., 1988 | 25. m/0.22 mm/0.25 μm, N2 |
Capillary | DB-1 | 250. | 2652. | Japp, Garthwaite, et al., 1988 | 30. m/0.53 mm/1.5 μm, N2 |
Capillary | BP-1 | 275. | 2679. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
Capillary | BP-1 | 275. | 2694. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
Packed | SE-30 | 260. | 2638. | Musumarra, Scarlata, et al., 1987 | N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m |
Packed | OV-1 | 250. | 2655. | Berninger and Möller, 1977 |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 2610. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 2746.9 | Tretyakov, 2014 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Capillary | SPB-1 | 2651. | Christ, Noomano, et al., 1988 | 30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; Tstart: 160. C |
Capillary | DB-1 | 2624. | Perrigo, Peel, et al., 1985 | 15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Capillary | DB-1 | 2624. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Packed | SE-30 | 2630. | Perrigo and Peel, 1981 | N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 2648. | University Centre for Pharmacy, 2003 | 12.5 m/0.32 mm/1.5 μm; Program: 135C(4min) => 13C/min => 200C => 8C/min => 240C => 6C/min => 312C (6min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SPB-5 | 220. | 2685. | 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 |
---|---|---|---|---|
Packed | SE-30 | 2641. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
Capillary | BP-1 | 2676. | MHA, 9999 | Tstart: 100. C; Tend: 300. C |
Capillary | DB-5 | 2676. | 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 | 2656. | 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 | 2619. | Chiarotti, de Giovanni, et al., 1986 | He, Chromosorb W(100-120 mesh); Column length: 25. m; Phase thickness: 0.4 μm |
Other | Methyl Silicone | 2641. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dimov and Moskovkina, 1991
Dimov, N.; Moskovkina, M.,
New aspects of quantitative structure-retention relationships in chromatography,
J. Chromatogr., 1991, 552, 59-69, https://doi.org/10.1016/S0021-9673(01)95923-0
. [all data]
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]
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]
Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses,
J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1
. [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, 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, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W.,
Condierations in developing a data base for drugs on a DBI capillary column,
J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360
. [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]
University Centre for Pharmacy, 2003
University Centre for Pharmacy, University of Groninger,
Systematic toxicological analysis, 2003, retrieved from http://www.farm.rug.nl/InterACT/wijopnet.html. [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]
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, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.