Estazolam

Formula: C₁₆H₁₁ClN₄
Molecular weight: 294.738
IUPAC Standard InChI: InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
IUPAC Standard InChIKey: CDCHDCWJMGXXRH-UHFFFAOYSA-N
CAS Registry Number: 29975-16-4
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: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-; D 40TA; Eurodin; Julodin; 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl-; 8-Chloro-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine; 8-Chloro-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine; Esilgan; Nuctalon; ProSom; Abbott-47631; Cannoc; Nemurel; Somnatrol; NSC 290818; U 33737; Alprazolam M (hydroxy-)-CH2O
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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

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	BP-1	250.	2893.	Japp, Garthwaite, et al., 1988	25. m/0.22 mm/0.25 μm, N2
Capillary	DB-1	250.	2855.	Japp, Garthwaite, et al., 1988	30. m/0.53 mm/1.5 μm, N2
Packed	SE-30	280.	2930.	Musumarra, Scarlata, et al., 1987	N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	2987.8	Tretyakov, 2014	30. m/0.25 mm/0.25 μm, He; T_start: 60. C; T_end: 270. C

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	2897.	MHA, 9999	T_start: 100. C; T_end: 300. C
Capillary	DB-5	2893.	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

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]

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]

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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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