Promethazine
- Formula: C17H20N2S
- Molecular weight: 284.419
- IUPAC Standard InChI: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
- IUPAC Standard InChIKey: PWWVAXIEGOYWEE-UHFFFAOYSA-N
- CAS Registry Number: 60-87-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 10H-Phenothiazine-10-ethanamine, N,N,α-trimethyl-; Phenothiazine, 10-[2-(dimethylamino)propyl]-; Dimapp; Diphergan; Hiberna; Phenargan; Proazamine; Procit; Prothazin; RP 3277; Vallergine; 10-[2-(Dimethylamino)propyl]phenothiazine; (2-Dimethylamino-2-methyl)ethyl-N-dibenzoparathiazine; A-91033; Aprobit; Atosil; Avomine; Dimethylamino-isopropyl-phenthiazin; Diprazine; Diprozin; Fargan; Fenazil; Fenetazina; Histargan; Iergigan; Isophenergan; Lercigan; Lilly 01516; Lilly 1516; N-(2'-Dimethylamino-2'-methyl)ethylphenothiazine; N-Dimethylamino-2-methylethyl thiodiphenylamine; Phargan; Phensedyl; Pilpophen; Promazinamide; Prometasin; Prometazin; Promethazin; Promezathine; Prorex; Protazine; Provigan; SKF 1498; Tanidil; Thiergan; WY 509; 10-(2-(Dimethylamino)-2-methylethyl)phenothiazine; NCI-C60673; Pyrethiazine; 3277 RP; Phenergan base; (+/-)-Promethazine; Promethiazine; Prometazine
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Gas phase ion energetics data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 7.25 ± 0.10 | CTS | Fulton and Lyons, 1968 |
IR Spectrum
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID; PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION 1.3% (CS2 FOR 2-15 microns, AND C2Cl4 FOR 5-7.7 microns); PERKIN-ELMER 21 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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
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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 | Tox21 Consortium/NIST Mass Spectrometry Data Center, 2012 |
| NIST MS number | 408602 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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 |
|---|---|---|---|---|---|
| Packed | SE-30 | 220. | 2256. | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-101 | 2270. | Maurer and Pfleger, 1988 | N2, Chromosorb G HP, 100. C @ 3. min, 30. K/min, 310. C @ 5. min; Column length: 0.6 m |
| Capillary | SE-30 | 2276. | Schepers, Wijsbeek, et al., 1982 | 25. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-101 | 2280. | McLinden and Stenhouse, 1979 | N2, Chromosorb W; Column length: 2. m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-1 | 2260. | Oyama, Sano, et al., 1987 | N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; Tstart: 120. C; Tend: 250. C |
| Capillary | DB-1 | 2254. | 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 | 2254. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
| Capillary | SE-30 | 2234. | Anderson and Stafford, 1983 | 15. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C |
| Packed | SE-30 | 2280. | 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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2259. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
| Packed | OV-101 | 2272. | Maurer and Pfleger, 1984 | N2, Chromosorb G HP, 20. K/min, 310. C @ 3. min; Column length: 0.6 m; Tstart: 100. C |
| Packed | OV-1 | 2260. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 5. K/min; Column length: 2. m; Tstart: 150. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Other | Methyl Silicone | 2259. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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.
Fulton and Lyons, 1968
Fulton, A.; Lyons, L.E.,
The ionization energies of some phenothiazine tranquillizers and molecules of similar structure,
Australian J. Chem., 1968, 21, 873. [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]
Maurer and Pfleger, 1988
Maurer, H.; Pfleger, K.,
Identification of phenothiazine antihistamines and their metabolites in urine,
Arch. Toxicol., 1988, 62, 2-3, 185-191, https://doi.org/10.1007/BF00570138
. [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]
McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M.,
A chromatography system for drug identification,
Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2
. [all data]
Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K.,
Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices,
Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342
. [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]
Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T.,
Applications of capillary gas chromatography in routine toxicological analyses,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506
. [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]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Maurer and Pfleger, 1984
Maurer, H.; Pfleger, K.,
Screening procedure for detection of phenothiazine and analogous neuroleptics and their metabolites in urine using a computerized gas chromatographic-mass spectrometric technique,
J. Chromatogr., 1984, 306, 125-145, https://doi.org/10.1016/S0378-4347(00)80876-2
. [all data]
Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F.,
Use of the retention index in gas chromatographic studies of drugs,
J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185
. [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 phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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