Metronidazole
CAS Number: 443-48-1
Molecular Mass: 171.15 g/mol
Formula: C6H9N3O3
Smiles: Cc1ncc([N+](=O)[O-])n1CCO
Synonymes:
Metronidazole, metronidazole, 443-48-1, Metronidazol, 2-Methyl-5-nitroimidazole-1-ethanol, Gineflavir, Deflamon, Orvagil, Anagiardil, Trichazol, MetroGel, Bayer 5360, Sanatrichom, Danizol, Meronidal, Metronidaz, Mexibol, Trichocide, Tricocet, Trivazol, Vagilen, Vagimid, Arilin, Clont, Klion, Metronidazolo, Acromona, Flagemona, Flagesol, Giatricol, Novonidazol, Protostat, Takimetol, Trichomol, Trichopol, Trikacide, Trikamon, Trikojol, Trikozol, Vertisal, Atrivyl, Efloran, Entizol, Flagil, Monagyl, Trichex, Tricom, Trimeks, Bexon, Eumin, Klont, MetroCream, MetroLotion, Nalox, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol, neo-Tric, Tricowas B, MetroGel-Vaginal, Metromidol, Deflamon-wirkstoff, Fossyol, CONT, Noritate, Trichopal, Flagyl Er, Metro I.V., Metronidazolum, Zadstat, Metrolyl, Vandazole, RP 8823, Metric 21, NSC-50364, 2-(2-methyl-5-nitroimidazol-1-yl)ethanol, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, Metrotop, 1-(2-Hydroxyethyl)-2-methyl-5-nitroimidazole, Metronidazole in Plastic Container, SC 10295, 2-Methyl-1-(2-hydroxyethyl)-5-nitroimidazole, 2-Methyl-3-(2-hydroxyethyl)-4-nitroimidazole, Zidoval, 1-(beta-Ethylol)-2-methyl-5-nitro-3-azapyrrole, Flagyl I.V. RTU, Flagyl 375, 1-(2-Hydroxy-1-ethyl)-2-methyl-5-nitroimidazole, Metro I.V. In Plastic Container, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol, 1-Hydroxyethyl-2-methyl-5-nitroimidazole, LIKMEZ, 1-(beta-Hydroxyethyl)-2-methyl-5-nitroimidazole, FLAGYL I.V. RTU IN PLASTIC CONTAINER, 1-(beta-Oxyethyl)-2-methyl-5-nitroimidazole, Imidazole-1-ethanol, 2-methyl-5-nitro-, BAY-5360, NSC69587, NSC-69587, RP-8823, BAYER-5360, DTXSID2020892, 140QMO216E, NSC50364, DTXCID20892, CHEBI:6909, 5-23-05-00063 (Beilstein Handbook Reference), Anabact, Drazifon, Metroplex, Metrosa, Neutratop, Nuvessa, Rosiced, Vaginyl, MetroCleanse, Norzol, Zyomet, Flagyl compak, Flagyl-s, Rosaclear System, Metronidazole Oral, metronidazole vaginal, Metronidazole Topical, AYRADIA, Metronidazole250 mg, Metronidazole500 mg, Flagyl-400, RefChem:6037, Trichomonacid'pharmachim', Metronidazole Topical Gel, Metronidazole Vaginal Gel, Metronidazole Topical Cream, Metronidazole250 mg 250 mg, Metronidazole500 mg 500 mg, A01AB17, D06BX01, G01AF01, J01XD01, P01AB01, Metronidazole vaginal gel, 1.3 %, Metronidazole Vaginal Gel, 0.75%, 2 Methyl 5 nitroimidazole 1 ethanol, B7-1, ICAM-1, LFA-3, B7-1, intercellular adhesion molecule-1, and leukocyte function-associated antigen-3, 207-136-1, Rozex, Flagyl, Monasin, Wagitran, Elyzol, Satric, NIDA, Methronidazole, Trichomonacid 'pharmachim', MFCD00009750, 2-Methyl-5-nitro-1H-imidazole-1-ethanol, 2-(2-methyl-5-nitro-1-imidazolyl)ethanol, 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol, NSC 50364, MLS000028590, Tricho cordes, Tricho-gynaedron, Metro Gel, s1907, NCGC00016446-06, CAS-443-48-1, Metrolag, Rathimed, SMR000058175, 2-(2-methyl-5-nitroimidazolyl)ethan-1-ol, Metronidazolo [DCIT], Mexibol 'silanes', 1-(.beta.-Ethylol)-2-methyl-5-nitro-3-azapyrrole, 1-(.beta.-Hydroxyethyl)-2-methyl-5-nitroimidazole, Metronidazol [INN-Spanish], Metronidazolum [INN-Latin], Trichobrol, Florazole, Mepagyl, Nidagyl, Rosased, Caswell No. 579AA, WLN: T5N CNJ A2Q B1 ENW, Noritate (TN), CCRIS 410, Metro cream & gel, Flagyl (TN), HSDB 3129, WLN: T6NTJ DQ ANU1- ET5N CNJ A1 BNW, SR-01000000244, EINECS 207-136-1, NSC 69587, EPA Pesticide Chemical Code 120401, BRN 0611683, Polibiotic, Trikhopol, Donnan, Flazol, UNII-140QMO216E, Metrotop, , Midazol, , Metronidazole RS, Elyzol, , Flagyl, , Torgyl, , CB-01-14 MMX, Metronidazole CRS, Metro IV, Vandazole (TN), Prestwick_334, Nuvessa (TN), IDR-90105, Cimetrol 500LPCI, Metronidazole, BioXtra, Metronidazole (Flagyl), Metronidazole Micronized, Spectrum_001035, Metronidazole [USAN:USP:INN:BAN:JAN], HELIDAC (Salt/Mix), Metronidazole (Standard), Maybridge1_001999, Opera_ID_1585, Prestwick0_000081, Prestwick1_000081, Prestwick2_000081, Prestwick3_000081, Spectrum2_000883, Spectrum3_000506, Spectrum4_000060, Spectrum5_001289, M0924, METRONIDAZOLE [MI], CHEMBL137, METRONIDAZOLE [INN], METRONIDAZOLE [JAN], METRONIDAZOLE [HSDB], METRONIDAZOLE [IARC], METRONIDAZOLE [USAN], NCIOpen2_000337, SCHEMBL23042, BSPBio_000002, BSPBio_002031, KBioGR_000559, KBioSS_001515, METRONIDAZOLE [VANDF], MLS000758286, MLS001424018, BIDD:GT0107, DivK1c_000007, METRONIDAZOLE [MART.], SPECTRUM1500412, SPBio_000666, SPBio_001941, METRONIDAZOLE [USP-RS], METRONIDAZOLE [WHO-DD], METRONIDAZOLE [WHO-IP], BPBio1_000004, orb1309838, orb3139877, Flagyl I.V. RTU (Salt/Mix), BCBcMAP01_000184, GTPL10914, HMS500A09, HMS547C19, HY-B0318R, KBio1_000007, KBio2_001515, KBio2_004083, KBio2_006651, KBio3_001531, Metronidazole (JP18/USP/INN), MSK5554, Metronidazole, analytical standard, NINDS_000007, GLXC-07994, HMS1568A04, HMS1920N19, HMS2051G07, HMS2090B19, HMS2091F14, HMS2095A04, HMS2231E11, HMS3373O05, HMS3393G07, HMS3655E22, HMS3712A04, HMS5080F03, Pharmakon1600-01500412, METRONIDAZOLE [EP IMPURITY], METRONIDAZOLE [ORANGE BOOK], ALBB-038642, HY-B0318, LAC39247, METRONIDAZOLE [EP MONOGRAPH], METRONIDAZOLE [USP IMPURITY], Tox21_110441, Tox21_202413, Tox21_302794, BBL005452, BDBM50375309, CCG-40016, EBC-03271, FP-250, METRONIDAZOLE [USP MONOGRAPH], MSK5554-100M, NSC757118, PYLERA COMPONENT METRONIDAZOLE, SBB001486, SBB041018, STK177359, HELIDAC COMPONENT METRONIDAZOLE, Metronidazole 2.0 mg/ml in Methanol, AKOS000269646, AKOS005169650, MSK5554-1000M, Tox21_110441_1, AM01526, DB00916, KS-5140, NC00020, NSC-757118, IDI1_000007, SMP1_000189, NCGC00016446-01, NCGC00016446-02, NCGC00016446-03, NCGC00016446-04, NCGC00016446-05, NCGC00016446-07, NCGC00016446-08, NCGC00016446-09, NCGC00016446-11, NCGC00016446-12, NCGC00016446-17, NCGC00022059-03, NCGC00022059-04, NCGC00022059-05, NCGC00256513-01, NCGC00259962-01, AC-23968, ST024769, SY002821, SBI-0051447.P003, DB-051212, Metronidazole, SAJ first grade, >=99.0%, AB00052046, NS00000210, SW196613-4, EN300-16851, Metronidazole Solution in Methanol, 100ug/mL, C07203, D00409, Metronidazole Solution in Methanol, 1000ug/mL, AB00052046-17, AB00052046_18, AB00052046_19, F222567, imidazole, 1-(2-hydroxyethyl)-2-methyl-5-nitro-, Metronidazole, VETRANAL(TM), analytical standard, Q169569, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethanol #, SR-01000000244-4, SR-01000000244-5, BRD-K52020312-001-05-2, BRD-K52020312-001-15-1, BRD-K52020312-001-25-0, BRD-K52020312-001-26-8, METRONIDAZOLE BENZOATE IMPURITY A [EP IMPURITY], Z87001124, F1773-0073, Metronidazole, certified reference material, TraceCERT(R), Metronidazole, British Pharmacopoeia (BP) Reference Standard, Metronidazole, European Pharmacopoeia (EP) Reference Standard, Metronidazole, United States Pharmacopeia (USP) Reference Standard, Metronidazole, Pharmaceutical Secondary Standard, Certified Reference Material, 56010-45-8
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 293.15 | - | 10.01 | [165] |
| 1-Butanol | 297.55 | - | 10.78 | [165] |
| 1-Butanol | 302.55 | - | 12.91 | [165] |
| 1-Butanol | 307.55 | - | 17.01 | [165] |
| 1-Butanol | 312.35 | - | 20.68 | [165] |
| 1-Butanol | 317.85 | - | 24.46 | [165] |
| 1-Butanol | 322.35 | - | 30.22 | [165] |
| Chloroform | 293.15 | - | 2.731 | [165] |
| Chloroform | 297.55 | - | 3.4 | [165] |
| Chloroform | 302.55 | - | 4.775 | [165] |
| Chloroform | 307.55 | - | 6.057 | [165] |
| Chloroform | 312.35 | - | 7.52 | [165] |
| Chloroform | 317.85 | - | 8.672 | [165] |
| Diethylene Glycol Monoethyl Ether | 298.15 | - | 26.51 | [166] |
| Diethylene Glycol Monoethyl Ether | 303.15 | - | 29.0 | [166] |
| Diethylene Glycol Monoethyl Ether | 308.15 | - | 31.08 | [166] |
| Diethylene Glycol Monoethyl Ether | 313.15 | - | 33.41 | [166] |
| Diethylene Glycol Monoethyl Ether | 318.15 | - | 35.86 | [166] |
| Diethylene Glycol Monoethyl Ether | 323.15 | - | 38.29 | [166] |
| Diethylene Glycol Monoethyl Ether | 328.15 | - | 41.6 | [166] |
| Diethylene Glycol Monoethyl Ether | 333.15 | - | 45.46 | [166] |
| Ethanol | 293.15 | - | 12.75 | [165] |
| Ethanol | 297.55 | - | 17.49 | [165] |
| Ethanol | 302.55 | - | 18.71 | [165] |
| Ethanol | 307.55 | - | 22.18 | [165] |
| Ethanol | 312.35 | - | 28.35 | [165] |
| Ethanol | 317.85 | - | 34.95 | [165] |
| Ethanol | 322.35 | - | 41.64 | [165] |
| Ethyl acetate | 293.15 | - | 5.248 | [165] |
| Ethyl acetate | 297.55 | - | 6.899 | [165] |
| Ethyl acetate | 302.55 | - | 8.597 | [165] |
| Ethyl acetate | 307.55 | - | 10.44 | [165] |
| Ethyl acetate | 312.35 | - | 12.23 | [165] |
| Ethyl acetate | 317.85 | - | 15.12 | [165] |
| Ethyl acetate | 322.35 | - | 20.51 | [165] |
| Isopropanol | 293.15 | - | 8.899 | [165] |
| Isopropanol | 297.55 | - | 10.34 | [165] |
| Isopropanol | 302.55 | - | 12.44 | [165] |
| Isopropanol | 307.55 | - | 13.61 | [165] |
| Isopropanol | 312.35 | - | 17.53 | [165] |
| Isopropanol | 317.85 | - | 22.37 | [165] |
| Isopropanol | 322.35 | - | 27.39 | [165] |
| Methanol | 293.15 | - | 27.25 | [165] |
| Methanol | 297.55 | - | 32.2 | [165] |
| Methanol | 302.55 | - | 38.99 | [165] |
| Methanol | 307.55 | - | 47.13 | [165] |
| Methanol | 312.35 | - | 57.59 | [165] |
| Methanol | 317.85 | - | 71.1 | [165] |
| Methanol | 322.35 | - | 83.54 | [165] |
| Water | 293.15 | - | 8.277 | [165] |
| Water | 298.15 | - | 10.53 | [166] |
| Water | 298.45 | - | 9.908 | [165] |
| Water | 303.15 | - | 11.27 | [166] |
| Water | 306.95 | - | 13.79 | [165] |
| Water | 308.15 | - | 12.1 | [166] |
| Water | 308.65 | - | 14.38 | [165] |
| Water | 313.15 | - | 17.05 | [165] |
| Water | 313.15 | - | 12.93 | [166] |
| Water | 318.05 | - | 20.37 | [165] |
| Water | 318.15 | - | 13.85 | [166] |
| Water | 322.95 | - | 24.9 | [165] |
| Water | 323.15 | - | 14.95 | [166] |
| Water | 328.15 | - | 15.9 | [166] |
| Water | 333.15 | - | 17.03 | [166] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 414.6769 |
| PMI2 | 553.9450 |
| PMI3 | 823.1147 |
| NPR1 | 0.5038 |
| NPR2 | 0.6730 |
| RadiusOfGyration | 2.2878 |
| InertialShapeFactor | 0.0016 |
| Eccentricity | 0.8638 |
| Asphericity | 0.1611 |
| SpherocityIndex | 0.3097 |
| PBF | 0.6701 |