Trimethoprim
CAS Number: 738-70-5
Molecular Mass: 290.32 g/mol
Formula: C14H18N4O3
Smiles: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Synonymes:
Trimethoprim, trimethoprim, 738-70-5, Proloprim, Trimpex, 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine, Trimetoprim, Monotrim, Trimopan, Wellcoprim, Syraprim, Monoprim, Uretrim, Trimethoprime, Trimethoprimum, Trimetoprima, 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine, Tiempe, Trimpex 200, NSC-106568, BW 56-72, NIH 204, Trimogal, Infectotrimet, 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-, BW-56-72, DTXSID3023712, NIH-204, 5-(3,4,5-Trimethoxybenzyl)-2,4-diaminopyrimidine, 5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4-pyrimidinediamine, AN164J8Y0X, 2,4-Pyrimidinediamine, 5-((3,4,5-trimethoxyphenyl)methyl)-, CHEBI:45924, Pyrimidine, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)-, 5-((3,4,5-Trimethoxyphenyl)methyl)-2,4-pyrimidinediamine, NSC106568, DTXCID803712, 5-((3,4,5-trimethoxyphenyl)methyl)pyrimidine-2,4-diamine, Ledatrim, Proloprin, Triprimix 200, RefChem:6327, J01EA01, 212-006-2, Monotrimin, Triprim, 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine, component of Bactrim, TCMDC-125538, MFCD00036761, NSC 106568, CHEMBL22, Trimpex (TN), Abaprim, BW 5672, 5-(3,4,5-Trimethoxybenzyl)-2,4-pyrimidinediamine, MLS000079023, Briscotrim, Novotrimel, Streptoplus, Sulfoxaprim, Trimethioprim, Urobactrim, Wellcoprin, Anitrim, Antrima, Antrimox, Bacidal, Bacticel, Bactoprim, Bencole, Bethaprim, Biosulten, Chemotrin, Colizole, Conprim, Cotrimel, Duocide, Esbesul, Espectrin, Euctrim, Exbesul, Fermagex, Fortrim, Ikaprim, Kombinax, Lagatrim, Lastrim, Metoprim, Pancidim, Protrin, Resprim, Salvatrim, Setprin, Sinotrim, Sugaprim, Sulfamar, Sulthrim, Sultrex, Trimexol, Trimezol, Trimono, Trisulcom, Trisulfam, Trisural, Utetrin, Velaten, Xeroprim, Zamboprim, Bacdan, Bacide, Deprim, Omstat, Purbal, Roubac, Roubal, Stopan, Toprim, Trisul, Bacin, Bacta, Futin, Co-Trimoxizole, Lagatrim Forte, Septrin Forte, Alcorim-F, Colizole DS, Septrin S, Septrin DS, Smz-Tmp, Trimez-IFSA, U-Prin, component of Septra, NCGC00016055-05, Trimethopriom, Bactifor, CAS-738-70-5, Dosulfin, Instalac, SMR000035999, Trimetoprim [DCIT], Lescot, Trimetoprim [Polish], Resprim Forte, Uro-D S, Tmp Smx, Trimethoprime [INN-French], Trimethoprimum [INN-Latin], Trimetoprima [INN-Spanish], Bacterial [Antibiotic], NIH 204 (VAN), Proloprim (TN), WR 5949, CCRIS 2410, HSDB 6781, SR-01000075652, EINECS 212-006-2, 5-(3, 4, 5-Trimethoxybenzyl)-2, 4-pyrimidinediamine, Trimethoprim & VRC3375, BRN 0625127, UNII-AN164J8Y0X, Trimethoprim (JAN/USP/INN), AI3-52594, Trimethoprim RS, Syraprim, , Trimethoprim CRS, B-Lock, KUC103659N, Trimethoprim(TMP), Prestwick_485, KSC-4-158, Trimethoprim (TMP), Bactrim (Salt/Mix), Spectrum_000167, Tocris-0650, Trimethoprim [USAN:USP:INN:BAN:JAN], 2w9h, 3fl9, 3n0h, 3s3v, 4km2, Trimethoprim (Standard), 2,4-Pyrimidinediamine, 5-((3,4,5-trimethoxyphenyl)-methyl)-, Opera_ID_1760, Prestwick0_000208, Prestwick1_000208, Prestwick2_000208, Prestwick3_000208, Spectrum2_000937, Spectrum3_000643, Spectrum4_000372, Spectrum5_001559, Lopac-T-7883, TRIMETHOPRIM [MI], TRIMETHOPRIM [INN], TRIMETHOPRIM [JAN], Epitope ID:119684, UPCMLD-DP132, T 7883, TRIMETHOPRIM [HSDB], TRIMETHOPRIM [USAN], TRIMETHOPRIM [VANDF], Lopac0_001271, Oprea1_495058, SCHEMBL24506, BSPBio_000195, BSPBio_002245, KBioGR_000863, KBioSS_000647, TRIMETHOPRIM [MART.], 5-25-13-00429 (Beilstein Handbook Reference), MLS001201740, MLS002303068, MLS002548881, BIDD:GT0190, DivK1c_000589, SPECTRUM1500595, TRIMETHOPRIM [USP-RS], TRIMETHOPRIM [WHO-DD], SPBio_000874, SPBio_002116, BPBio1_000215, orb1309588, orb3140219, SCHEMBL28042088, SCHEMBL28636448, SCHEMBL29462189, UPCMLD-DP132:001, BDBM18069, GTPL10931, HMS501N11, HY-B0510R, KBio1_000589, KBio2_000647, KBio2_003215, KBio2_005783, KBio3_001465, MSK4009, TRIMETHOPRIM [GREEN BOOK], Trimethoprim, >=98% (HPLC), NINDS_000589, 2,4,5-trimethoxybenzyl)pyrimidine, HMS1568J17, HMS1921I03, HMS2090D14, HMS2092A10, HMS2095J17, HMS2230L06, HMS3259I11, HMS3263P04, HMS3371O18, HMS3652E03, HMS3712J17, HMS5081C18, Pharmakon1600-01500595, TRIMETHOPRIM [EP IMPURITY], TRIMETHOPRIM [ORANGE BOOK], TRIMETHOPRIM [EP MONOGRAPH], 2,4,5-trimethoxyphenzyl)pyrimidine, ALBB-028968, COTRIM COMPONENT TRIMETHOPRIM, HY-B0510, PXB92338, SEPTRA COMPONENT TRIMETHOPRIM, Co-trimoxazole component trimethoprim, Tox21_110291, Tox21_200157, Tox21_501271, TRIMETHOPRIM [USP MONOGRAPH], BACTRIM COMPONENT TRIMETHOPRIM, BBL005584, CCG-40335, EBC-03787, MSK4009-100M, NSC752719, NSC757370, s3129, SBB080617, STK177322, STL455117, UROPLUS COMPONENT TRIMETHOPRIM, TRIMETHOPRIMUM [WHO-IP LATIN], AKOS001650069, MSK4009-1000M, SULFATRIM COMPONENT TRIMETHOPRIM, SULMEPRIM COMPONENT TRIMETHOPRIM, Tox21_110291_1, AC-8427, BW-5672, DB00440, KS-1145, LP01271, NC00483, NSC-752719, NSC-757370, SDCCGSBI-0051237.P004, BACTRIM DS COMPONENT TRIMETHOPRIM, IDI1_000589, SMP2_000262, NCGC00016055-01, NCGC00016055-02, NCGC00016055-03, NCGC00016055-04, NCGC00016055-06, NCGC00016055-07, NCGC00016055-08, NCGC00016055-09, NCGC00016055-10, NCGC00016055-11, NCGC00016055-12, NCGC00016055-13, NCGC00016055-14, NCGC00016055-16, NCGC00016055-17, NCGC00016055-27, NCGC00024707-01, NCGC00024707-03, NCGC00024707-04, NCGC00024707-05, NCGC00024707-06, NCGC00024707-07, NCGC00024707-08, NCGC00257711-01, NCGC00261956-01, COTRIM D.S. COMPONENT TRIMETHOPRIM, ST024737, SY031734, SBI-0051237.P003, DB-055812, SULFAMETHOPRIM COMPONENT TRIMETHOPRIM, Trimethoprim 100 microg/mL in Acetonitrile, 2, 5-[(3,4,5-trimethoxyphenyl)methyl]-, AB00052118, EU-0101271, NS00000211, SW196690-3, Trimethoprim 1000 microg/mL in Acetonitrile, Trimethoprim Solution in Methanol, 100ug/mL, Trimethoprim Solution in Methanol, 1000ug/mL, BACTRIM PEDIATRIC COMPONENT TRIMETHOPRIM, C01965, D00145, EN300-118703, Trimethoprim, crystallized, >=99.0% (HPLC), WLN: T6N CNJ BZ DZ E1R CO1 DO1 EO1, 5-(3,5-Trimethoxybenzyl)-2,4-diaminopyrimidine, AB00052118-30, AB00052118-32, AB00052118_33, AB00052118_34, Trimethoprim, VETRANAL(TM), analytical standard, Q422665, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)-pyrimidine, Pyrimidine,4-diamino-5-(3,4,5-trimethoxybenzyl)-, SR-01000075652-1, SR-01000075652-3, SR-01000075652-6, 5-(3,4,5-Trimethoxybenzyl)-2,4-pyrimidinediamine #, BRD-K07208025-001-06-5, BRD-K07208025-001-29-7, BRD-K07208025-001-31-3, SR-01000075652-10, 2,4-Diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidine, F0914-5266, Trimethoprim, certified reference material, TraceCERT(R), Z1515385071, 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4(1H,3H)-diimine, pyrimidine, 2,4-diamino-5-(3',4',5'-trimethoxybenzyl)-, Trimethoprim, British Pharmacopoeia (BP) Reference Standard, Trimethoprim, European Pharmacopoeia (EP) Reference Standard, 5-{[3,4,5-tris(methyloxy)phenyl]methyl}pyrimidine-2,4-diamine, Trimethoprim, United States Pharmacopeia (USP) Reference Standard, Trimethoprim for system suitability, European Pharmacopoeia (EP) Reference Standard, Trimethoprim, Pharmaceutical Secondary Standard, Certified Reference Material
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 276.35 | - | 0.5058 | [358] |
| 1-Butanol | 282.63 | - | 0.8124 | [358] |
| 1-Butanol | 287.96 | - | 1.144 | [358] |
| 1-Butanol | 292.84 | - | 1.5 | [358] |
| 1-Butanol | 298.46 | - | 2.005 | [358] |
| 1-Butanol | 303.72 | - | 2.652 | [358] |
| 1-Butanol | 308.84 | - | 3.309 | [358] |
| 1-Butanol | 313.36 | - | 4.127 | [358] |
| 1-Butanol | 318.45 | - | 5.436 | [358] |
| 1-Butanol | 323.73 | - | 7.245 | [358] |
| 1-Butanol | 329.21 | - | 9.397 | [358] |
| 1-Butanol | 333.73 | - | 11.82 | [358] |
| 1-Propanol | 277.35 | - | 1.095 | [358] |
| 1-Propanol | 283.63 | - | 1.287 | [358] |
| 1-Propanol | 288.97 | - | 1.615 | [358] |
| 1-Propanol | 294.05 | - | 2.059 | [358] |
| 1-Propanol | 298.93 | - | 2.616 | [358] |
| 1-Propanol | 303.84 | - | 3.329 | [358] |
| 1-Propanol | 308.44 | - | 4.171 | [358] |
| 1-Propanol | 314.54 | - | 5.626 | [358] |
| 1-Propanol | 319.17 | - | 7.062 | [358] |
| 1-Propanol | 323.48 | - | 8.72 | [358] |
| 1-Propanol | 328.57 | - | 11.18 | [358] |
| 1-Propanol | 334.15 | - | 14.62 | [358] |
| 2-Butanol | 276.85 | - | 0.4926 | [358] |
| 2-Butanol | 283.66 | - | 0.5714 | [358] |
| 2-Butanol | 290.08 | - | 0.9518 | [358] |
| 2-Butanol | 294.67 | - | 1.331 | [358] |
| 2-Butanol | 298.45 | - | 1.767 | [358] |
| 2-Butanol | 303.74 | - | 2.369 | [358] |
| 2-Butanol | 308.84 | - | 3.127 | [358] |
| 2-Butanol | 313.35 | - | 4.069 | [358] |
| 2-Butanol | 318.46 | - | 5.303 | [358] |
| 2-Butanol | 323.56 | - | 7.07 | [358] |
| 2-Butanol | 328.66 | - | 8.841 | [358] |
| 2-Butanol | 333.74 | - | 11.44 | [358] |
| Acetone | 276.94 | - | 1.844 | [358] |
| Acetone | 282.12 | - | 2.171 | [358] |
| Acetone | 288.62 | - | 2.642 | [358] |
| Acetone | 292.94 | - | 3.006 | [358] |
| Acetone | 297.96 | - | 3.494 | [358] |
| Acetone | 304.17 | - | 4.211 | [358] |
| Acetone | 309.34 | - | 4.926 | [358] |
| Acetone | 314.34 | - | 5.726 | [358] |
| Acetone | 319.07 | - | 6.593 | [358] |
| Acetone | 323.51 | - | 7.519 | [358] |
| Acetonitrile | 293.15 | - | 1.939 | [357] |
| Acetonitrile | 298.45 | - | 2.399 | [357] |
| Acetonitrile | 303.45 | - | 2.915 | [357] |
| Acetonitrile | 308.15 | - | 3.6 | [357] |
| Acetonitrile | 312.95 | - | 4.354 | [357] |
| Acetonitrile | 318.65 | - | 5.478 | [357] |
| Acetonitrile | 322.65 | - | 6.723 | [357] |
| Ethanol | 281.15 | - | 1.795 | [358] |
| Ethanol | 287.25 | - | 2.307 | [358] |
| Ethanol | 292.64 | - | 2.717 | [358] |
| Ethanol | 293.15 | - | 3.534 | [357] |
| Ethanol | 297.95 | - | 3.372 | [358] |
| Ethanol | 298.45 | - | 4.553 | [357] |
| Ethanol | 302.05 | - | 4.108 | [358] |
| Ethanol | 303.45 | - | 5.502 | [357] |
| Ethanol | 307.85 | - | 5.14 | [358] |
| Ethanol | 308.15 | - | 6.57 | [357] |
| Ethanol | 311.35 | - | 6.043 | [358] |
| Ethanol | 312.95 | - | 8.445 | [357] |
| Ethanol | 315.24 | - | 7.36 | [358] |
| Ethanol | 318.65 | - | 10.96 | [357] |
| Ethanol | 318.85 | - | 8.581 | [358] |
| Ethanol | 322.65 | - | 14.69 | [357] |
| Ethanol | 323.95 | - | 10.72 | [358] |
| Ethanol | 326.65 | - | 12.26 | [358] |
| Ethanol | 330.66 | - | 14.76 | [358] |
| Ethanol | 335.25 | - | 18.46 | [358] |
| Ethyl acetate | 293.15 | - | 0.82 | [357] |
| Ethyl acetate | 298.45 | - | 0.9778 | [357] |
| Ethyl acetate | 303.45 | - | 1.164 | [357] |
| Ethyl acetate | 308.15 | - | 1.4 | [357] |
| Ethyl acetate | 312.95 | - | 1.749 | [357] |
| Ethyl acetate | 318.65 | - | 2.216 | [357] |
| Ethyl acetate | 322.65 | - | 2.752 | [357] |
| Isopropanol | 277.17 | - | 0.4222 | [358] |
| Isopropanol | 282.82 | - | 0.6001 | [358] |
| Isopropanol | 288.28 | - | 0.7721 | [358] |
| Isopropanol | 293.13 | - | 0.9688 | [358] |
| Isopropanol | 293.15 | - | 0.86 | [357] |
| Isopropanol | 297.57 | - | 1.218 | [358] |
| Isopropanol | 298.45 | - | 1.108 | [357] |
| Isopropanol | 303.45 | - | 1.628 | [357] |
| Isopropanol | 304.04 | - | 1.754 | [358] |
| Isopropanol | 308.15 | - | 2.03 | [357] |
| Isopropanol | 309.36 | - | 2.403 | [358] |
| Isopropanol | 312.95 | - | 2.837 | [357] |
| Isopropanol | 315.13 | - | 3.37 | [358] |
| Isopropanol | 318.65 | - | 3.929 | [357] |
| Isopropanol | 319.53 | - | 4.33 | [358] |
| Isopropanol | 322.65 | - | 5.185 | [357] |
| Isopropanol | 324.04 | - | 5.539 | [358] |
| Isopropanol | 328.37 | - | 6.938 | [358] |
| Isopropanol | 333.64 | - | 8.989 | [358] |
| Methanol | 277.02 | - | 6.055 | [358] |
| Methanol | 282.85 | - | 7.277 | [358] |
| Methanol | 288.09 | - | 8.67 | [358] |
| Methanol | 293.03 | - | 10.28 | [358] |
| Methanol | 298.17 | - | 12.33 | [358] |
| Methanol | 304.24 | - | 15.39 | [358] |
| Methanol | 309.36 | - | 18.67 | [358] |
| Methanol | 314.12 | - | 22.45 | [358] |
| Methanol | 319.06 | - | 27.31 | [358] |
| Methanol | 323.53 | - | 32.68 | [358] |
| Methanol | 328.15 | - | 39.41 | [358] |
| Methanol | 333.73 | - | 49.44 | [358] |
| Tetrahydrofuran | 276.05 | - | 2.22 | [358] |
| Tetrahydrofuran | 281.81 | - | 2.588 | [358] |
| Tetrahydrofuran | 287.31 | - | 3.088 | [358] |
| Tetrahydrofuran | 292.65 | - | 3.531 | [358] |
| Tetrahydrofuran | 298.08 | - | 4.164 | [358] |
| Tetrahydrofuran | 303.12 | - | 4.845 | [358] |
| Tetrahydrofuran | 306.95 | - | 5.438 | [358] |
| Tetrahydrofuran | 311.69 | - | 6.242 | [358] |
| Tetrahydrofuran | 316.74 | - | 7.243 | [358] |
| Tetrahydrofuran | 321.34 | - | 8.439 | [358] |
| Tetrahydrofuran | 326.91 | - | 10.15 | [358] |
| Tetrahydrofuran | 333.87 | - | 12.85 | [358] |
| Water | 293.15 | - | 0.3211 | [357] |
| Water | 298.45 | - | 0.3993 | [357] |
| Water | 303.45 | - | 0.4842 | [357] |
| Water | 308.15 | - | 0.5889 | [357] |
| Water | 312.95 | - | 0.7487 | [357] |
| Water | 318.65 | - | 0.9658 | [357] |
| Water | 322.65 | - | 1.138 | [357] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1082.2214 |
| PMI2 | 2946.1218 |
| PMI3 | 3391.2515 |
| NPR1 | 0.3191 |
| NPR2 | 0.8687 |
| RadiusOfGyration | 3.5747 |
| InertialShapeFactor | 0.0008 |
| Eccentricity | 0.9477 |
| Asphericity | 0.3271 |
| SpherocityIndex | 0.3824 |
| PBF | 1.0990 |