Trimethoprim
- Formula: C14H18N4O3
- Molecular weight: 290.3177
- IUPAC Standard InChI: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
- IUPAC Standard InChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
- CAS Registry Number: 738-70-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-; Pyrimidine, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)-; BW 56-72; NIH 204; Syraprim; 2,4-Diamino-5-(3,4,5-Trimethoxybenzyl)pyrimidine; Bactramin; Monotrim; Monotrimin; Proloprim; Trimopan; Trimpex; Veltrim; 5-(3,4,5-Trimethoxybenzyl)-2,4-diaminopyrimidine; Monoprim; NSC-106568; Tiempe; Trimanyl; Trimethopriom; Wellcoprim; 2,4-Diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidine; Trimethioprim; Trimetoprim; 5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine; Instalac; Trimogal; Uretrim; Triprim; 5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (trimethoprim)
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Phase change data
Go To: Top, 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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 11.9 | 472.9 | DSC | Wassvik, Holmén, et al., 2006 |
| 12.82 | 474. | N/A | Issa, El-Ansary, et al., 1998 |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| 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 | Patti Price, Georgia Bureau of Investigation, Decatur, Georgia |
| NIST MS number | 247707 |
Gas Chromatography
Go To: Top, Phase change data, 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 | SPB-1 | 250. | 2574. | 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 | SPB-1 | 2564. | Christ, Noomano, et al., 1988 | 30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; Tstart: 160. C |
References
Go To: Top, Phase change data, 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.
Wassvik, Holmén, et al., 2006
Wassvik, Carola M.; Holmén, Anders G.; Bergström, Christel A.S.; Zamora, Ismael; Artursson, Per,
Contribution of solid-state properties to the aqueous solubility of drugs,
European Journal of Pharmaceutical Sciences, 2006, 29, 3-4, 294-305, https://doi.org/10.1016/j.ejps.2006.05.013
. [all data]
Issa, El-Ansary, et al., 1998
Issa, Y.M.; El-Ansary, A.L.; Selim, W.,
Enthalpimetric Determination of Sulfa Drugs in Pure Form and Pharmaceutical Formulations,
Analytical Letters, 1998, 31, 1, 131-146, https://doi.org/10.1080/00032719808001838
. [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]
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]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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