Benadryl
- Formula: C17H21NO
- Molecular weight: 255.3547
- IUPAC Standard InChI: InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
- IUPAC Standard InChIKey: ZZVUWRFHKOJYTH-UHFFFAOYSA-N
- CAS Registry Number: 58-73-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-; Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-; α-(2-Dimethylaminoethoxy)diphenylmethane; β-(Dimethylamino)ethanol diphenylmethyl ether; β-(Dimethylamino)ethyl benzhydryl ether; Alledryl; Allergina; Allergival; Amidryl; Bagodryl; Benodin; Benodine; Benzhydramine; Dabylen; Dibendrin; Dibondrin; Dihidral; Dimedrol; Dimedryl; N-[2-(Diphenylmethoxy)ethyl]-N,N-dimethylamine; O-Benzhydryl(dimethylamino)ethanol; Probedryl; Diphenhydramine; S 51; Syntedril; Syntodril; 2-(Benzhydryloxy)-N,N-Dimethylethylamine; 2-(Diphenylmethoxy)-N,N-dimethylethylamine; N,N-Dimethyl-2-diphenylmethyloxyethylamine; Aleryl; Allergan B; Allergeval; Allergical; Antistominum; Antomin; Baramine; Bena; Benachlor; Benadrin; Ben-allergin; Benapon; Benylan; Benzantine; Benzhydraminum; Benzhydril; Benzhydroamina; Benzhydryl; N-(Benzhydryloksy-etylo)dwumetyloamina; 2-(Benzohydryloxy)-N,N-dimethylethylamine; Betramin; Debendrin; Dermistina; Dermodrin; Desentol; Diabenyl; Diabylen; Difedryl; Difenhydramin; Difenidramina; β-Dimethylamino-aethyl-benzhydryl-aether; Diphantine; Dryistan; Drylistan; Dylamon; Etanautine; Ethylamine, N,N-dimethyl-2-(diphenylmethoxy)-; Histaxin; Hyadrine; Ibiodral; Medidryl; Mephadryl; Nausen; Novamina; PM 255; Rigidil; Rigidyl; Diphenylmethanol, (N,N-dimenthylaminoethyl) ether; FAR 90X2; Dimedrol base; Diphenylhydramine
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Gas Chromatography
Go To: Top, 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 | BP-1 | 200. | 1865. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
| Capillary | BP-1 | 200. | 1872. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
| Packed | SE-30 | 200. | 1868. | Musumarra, Scarlata, et al., 1987 | N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m |
| Packed | SE-30 | 210. | 1874. | Lenchik, Rudenko, et al., 1986 | N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m |
| Packed | SE-30 | 210. | 1890. | Lenchik, Rudenko, et al., 1986 | N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m |
| Capillary | SPB-1 | 250. | 1888. | Lora-Tamayo, Rams, et al., 1986 | He; Column length: 25. m; Column diameter: 0.20 mm |
| Packed | OV-1 | 200. | 1870. | Berninger and Möller, 1977 | |
| Packed | OV-101 | 150. | 1850. | Möller, 1976 | N2, Chromosorb W; Column length: 2. m |
| Packed | OV-101 | 190. | 1870. | Möller, 1976 | N2, Chromosorb W; Column length: 2. m |
| Packed | OV-101 | 230. | 1885. | Möller, 1976 | N2, Chromosorb W; Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1857. | 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 | 1880. | McLinden and Stenhouse, 1979 | N2, Chromosorb W; Column length: 2. m; Program: not specified |
| Packed | OV-1 | 1885. | Berninger, Grunnagel, et al., 1975 | N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified |
| Packed | OV-1 | 1860. | Berninger, Grunnagel, et al., 1975 | N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified |
| Packed | SE-30 | 1855. | Moffat, Stead, et al., 1974 | Column length: 2. m; Program: not specified |
Kovats' RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Carbowax 20M | 2513. | Moffat, Stead, et al., 1974 | Column length: 1. m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1873. | 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 | CBP-1 | 1846. | 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 | 1849. | 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 | 1849. | 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 | 1842. | Anderson and Stafford, 1983 | 15. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C |
| Capillary | SE-30 | 1841. | 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 | 1865. | 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 | 1870. | 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) |
| Capillary | CP Sil 5 CB | 1869. | Aderjan and Bogusz, 1988 | 10. m/0.53 mm/5.0 μm, He; Program: 100 0C (2 min ) 15 0C/min -> 200 0C 10 0C/min -> 300 0C (8 min hold) |
| Capillary | BP-1 | 1852. | Stowell and Wilson, 1987 | 12. m/0.22 mm/0.25 μm, He; Program: 120C => 8C/min => 270C => 25C/min => 300C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1873. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
| Capillary | DB-5 | 1844. | Phillips, Logan, et al., 1990 | 15. m/0.25 mm/0.2 μm, He, 10. K/min; Tstart: 185. C; Tend: 270. C |
| Capillary | OV-1 | 1873. | Schutz and Wollrab A., 1988 | 16. K/min; Tstart: 200. C; Tend: 280. C |
| Packed | SE-30 | 1865. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1908. | Grigoriev and Savchuk, 2010 | 25. m/0.20 mm/0.33 μm; Program: 50 0C (0.5 min) 99 0C/min -> 100 0C (1 min) 15 0C/min -> 280 0C (20 min) |
| Capillary | 5 % Phenyl methyl siloxane | 1908. | Grigoriev and Savchuk, 2010 | 25. m/0.20 mm/0.33 μm; Program: 50 0C (0.5 min) 99 0C/min -> 100 0C (1 min) 15 0C/min -> 280 0C (20 min) |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1842. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Other | Methyl Silicone | 1870. | Ardrey and Moffat, 1981 | Program: not specified |
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, 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]
Lenchik, Rudenko, et al., 1986
Lenchik, N.V.; Rudenko, B.A.; Dzhabarov, D.N.,
Gas chromatographic analysis of nitrogen-containing pharmaceticals using a thermoaerosol detector and non-porous sorbents,
Zh. Anal. Khim., 1986, 1438-1443. [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]
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]
Möller, 1976
Möller, M.R.,
Comparability of retention indices of polar substances at elevated temperatures,
Chromatographia, 1976, 9, 7, 311-314, https://doi.org/10.1007/BF02268832
. [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]
Berninger, Grunnagel, et al., 1975
Berninger, H.; Grunnagel, R.; Mall, S.; Moller, M.R.,
Gas chromatographic identification of unknown substances from body fluids by menas of retention indices,
Beitr. Gerichtl. Med., 1975, 33, 185-191. [all data]
Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W.,
Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography,
J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3
. [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]
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]
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]
Aderjan and Bogusz, 1988
Aderjan, R.; Bogusz, M.,
Nitroalkanes as a multidetector retention index scale for drug identification in gas chromatography,
J. Chromatogr., 1988, 454, 345-351, https://doi.org/10.1016/S0021-9673(00)88629-X
. [all data]
Stowell and Wilson, 1987
Stowell, A.; Wilson, L.W.,
A simple approach to the interlaboratory transfer of drug retention indices determined by temperature programmed capillary gas chromatography,
J. Forensic Sci., 1987, 32, 5, 1214-1220. [all data]
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
Phillips, Logan, et al., 1990
Phillips, A.M.; Logan, B.K.; Stafford, D.T.,
Further applications for capillary gas chromatography in routine quantitative toxicological analyses,
J. Hi. Res. Chromatogr., 1990, 13, 11, 754-758, https://doi.org/10.1002/jhrc.1240131106
. [all data]
Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A.,
The significance of the retention index in toxicologic analysis II,
Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [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]
Grigoriev and Savchuk, 2010
Grigoriev, A.M.; Savchuk, S.A.,
Correlation of the parameters of screening libraries of the gas-chromatographic retention data,
Rus. J. Anal. Chem. (Engl. Transl.), 2010, 65, 4, 388-397. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [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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