Indomethacin
CAS Number: 53-86-1
Molecular Mass: 357.8 g/mol
Formula: C19H16ClNO4
Smiles: COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
Synonymes:
Indomethacin, indomethacin, 53-86-1, indometacin, Indometacine, Indomethacine, Indocid, Metindol, Reumacide, Indomethazine, Idomethine, Imbrilon, Mikametan, Indacin, Mobilan, Tannex, Amuno, Inteban sp, Artrinovo, Confortid, Indomecol, Indomethacinum, Metartril, Methazine, Artracin, Artrivia, Dolovin, Indomed, Indomee, Indoptic, Indoptol, Inflazon, Infrocin, Metacen, Mezolin, Sadoreum, Inacid, Lausit, Indo-rectolmin, Indo-tablinen, Indometacyna, Indometicina, Durametacin, Indo-Lemmon, Indometacinum, Indometacina, Aconip, Indocin Sr, 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid, Osmosin, Indomet 140, Rheumacin LA, 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, Tivorbex, Indomod, Indolar SR, 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, NCI-C56144, FLAM, 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid, DTXSID9020740, XXE1CET956, NSC-757061, 1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid, Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, CHEBI:49662, N-p-Chlorbenzoyl-5-methoxy-2-methylindole-3-acetic acid, (1-p-Chlorobenzoyl-5-methoxy-2-methylindol-3-yl)acetic acid, NSC-77541, alpha-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid, DTXCID50740, 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetic acid, Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy, [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid, {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid, 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure, (1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETIC ACID, NSC77541, Indoderm, Indoflex, Indolar, Ledmecin, Rimacid, Pardelprin mr, Artracin sr, Indocid ret, 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl)acetic acid, Indomethacin ER, Maximet sr, Indo-paed, Indocid-r, Slo-indo, (1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid, Berlind 75 ret, Indotard mr 75, Indomax-25, Indomax-75 sr, Flexin-25 continus, Flexin-50 continus, Flexin-75 continus, RefChem:5905, Indomethacin Extended-release, C01EB03, M01AB01, M02AA23, S01BC01, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1-H-indole-3-acetic acid, 200-186-5, Indocin, Catlep, Dolcidium, Elmetacin, Indomethine, Indorektal, Indoxen, Vonum, Indo-phlogont, Chibro-amuno, MFCD00057095, 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid, CCRIS 3502, HSDB 3101, Indometacin [INN], Indomethacin (Indocid, Indocin), CHEMBL6, IMN, MLS000069402, 1-(p-Chlorobenzoyl)-2-methoxy-3-methyl-1H-indole-3-acetic Acid, 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid, s1723, CAS-53-86-1, NCGC00015562-18, Indmethacine, Indomethancin, Arthrexin, Bonidin, Bonidon, Indameth, Miametan, SMR000058195, Indomo, Flexin continus, Hicin, Chrono-indicid, Chrono-indocid, Indometacyna [Polish], 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid, Bonidon Gel, Indometicina [Spanish], Dolcidium PL, Indo-Spray, Indometacine [INN-French], Indometacinum [INN-Latin], Indometacina [INN-Spanish], 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid, Indonol, Innamit, Inteban, 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}acetic acid, Indocin-SR, Indochron E-R, Indocin (TN), Aconip (TN), Indomethacin (USP), Indocid (pharmaceutical), SR-01000000014, EINECS 200-186-5, Indomethacin & MAP-30, Indomethacin [USAN:USP], UNII-XXE1CET956, BRN 0497341, Indocollyre, 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-Indole-3-acetic acid, Artracin, , Imbrilon, , Indocid, , Indocin, , Indomed, , Indometacin CRS, 2-{1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl}acetic acid, Flexin, , 4kyk, Prestwick_597, Indomethacin (GMP), USAN, Opera_ID_56, Spectrum_000919, Tocris-1708, 1z9h, Indomethacin (Standard), 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure [German], 1-p-Cloro-benzoil-5-metoxi-2-metilindol-3-acido acetico [Spanish], Prestwick0_000272, Prestwick1_000272, Prestwick2_000272, Prestwick3_000272, Spectrum2_000970, Spectrum3_000468, Spectrum4_000018, Spectrum5_000868, INDOMETACIN [JAN], INDOMETHACIN [MI], Lopac-I-7378, Kwas 1-(p-chlorobenzoilo)-2-metylo-5-metoksy-3-indolilooctowy [Polish], Indometacin (Indomethacin), Epitope ID:613433, MolMap_000032, UPCMLD-DP023, EC 200-186-5, I 7378, Indometacin (JP18/INN), INDOMETHACIN [HSDB], INDOMETHACIN [USAN], SCHEMBL9300, INDOMETACIN [MART.], INDOMETHACIN [VANDF], Lopac0_000692, Oprea1_686105, BSPBio_000144, BSPBio_001149, BSPBio_002176, INDOMETACIN [WHO-DD], INDOMETACIN [WHO-IP], KBioGR_000395, KBioGR_000489, KBioSS_000489, KBioSS_001399, 5-22-05-00239 (Beilstein Handbook Reference), MLS001074194, MLS006011845, BIDD:GT0132, DivK1c_000271, INDOMETHACIN [USP-RS], SPECTRUM1500350, SPBio_000979, SPBio_002363, BPBio1_000160, GTPL1909, orb1310593, Indometacin impurity mixture CRS, Indomethacin, >=99% (TLC), SCHEMBL11563010, SCHEMBL29353712, UPCMLD-DP023:001, BDBM17638, CGIGDMFJXJATDK-UHFFFAOYSA-, HMS500N13, KBio1_000271, KBio2_000489, KBio2_001399, KBio2_003057, KBio2_003967, KBio2_005625, KBio2_006535, KBio3_000897, KBio3_000898, KBio3_001396, MSK7168, NINDS_000271, Bio2_000405, Bio2_000885, HMS1362I11, HMS1568H06, HMS1792I11, HMS1920F21, HMS1990I11, HMS2089N19, HMS2091N09, HMS2095H06, HMS2231J10, HMS3262K05, HMS3268A14, HMS3374F07, HMS3403I11, HMS3414N13, HMS3430L03, HMS3649K17, HMS3655O04, HMS3678N11, HMS3712H06, HMS3747K21, HMS3884E08, HMS5079F18, INDOMETACIN [EP MONOGRAPH], Indomethacin - Bio-X trade mark, INDOMETHACIN [ORANGE BOOK], Pharmakon1600-01500350, MDA37708, INDOMETHACIN [USP MONOGRAPH], Tox21_113109, Tox21_201791, Tox21_300266, Tox21_500692, AC-532, CCG-40186, EBC-04405, HB4422, HY-14397G, HY-14397R, INDOMETACINUM [WHO-IP LATIN], NSC757061, SBB057417, STL257874, AKOS000592893, Indometacin, Acemetacin EP Impurity B, Tox21_113109_1, AT13679, DB00328, FI24585, Indometacin 1.0 mg/ml in Acetonitrile, KS-5255, LP00692, NSC 757061, SDCCGSBI-0050670.P005, IDI1_000271, IDI1_002160, NCGC00015562-01, NCGC00015562-02, NCGC00015562-03, NCGC00015562-04, NCGC00015562-05, NCGC00015562-06, NCGC00015562-07, NCGC00015562-08, NCGC00015562-09, NCGC00015562-10, NCGC00015562-11, NCGC00015562-12, NCGC00015562-13, NCGC00015562-14, NCGC00015562-15, NCGC00015562-16, NCGC00015562-17, NCGC00015562-19, NCGC00015562-20, NCGC00015562-21, NCGC00015562-22, NCGC00015562-24, NCGC00015562-25, NCGC00015562-40, NCGC00024135-02, NCGC00024135-04, NCGC00024135-05, NCGC00024135-06, NCGC00024135-07, NCGC00024135-08, NCGC00024135-09, NCGC00024135-10, NCGC00024135-11, NCGC00024135-12, NCGC00024135-13, NCGC00024135-14, NCGC00024135-15, NCGC00254075-01, NCGC00259340-01, NCGC00261377-01, BI166166, BP-30207, HY-14397, NCI60_041708, O-Desmethyl-des-4-chlorobenzoylacemetacin, SBI-0050670.P004, ACEMETACIN IMPURITY B [EP IMPURITY], DB-052413, AB00052022, EU-0100692, I0655, NS00000217, ST50320042, SW196768-5, EN300-16807, Indomethacin, meets USP testing specifications, BIM-0050670.0001, C01926, D00141, S00108, AB00052022-20, AB00052022-21, AB00052022_23, AB00052022_24, F358171, L000959, Q409231, SR-01000000014-2, SR-01000000014-4, SR-01000000014-6, BRD-K57222227-001-06-1, BRD-K57222227-001-18-6, BRD-K57222227-001-27-7, BRD-K57222227-001-28-5, BRD-K57222227-001-29-3, BRD-K57222227-001-30-1, SR-01000000014-10, SR-01000000014-16, Z56784896, 1-p-chlorobenzoyl-2-methyl-5-methoxyindol-3-acetic acid, 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indoleacetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid, 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-acetic acid, 1-(p-chlorobenzyl)-5-methoxy-2-methylindole-3-acetic acid, 1-(4-chloro-benzoyl)-5-methoxy-2-methyl-3-indolyl-acetic acid, 1-(4-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-acetic acid, 1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indole-acetic acid, 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indol acetic acid, Indomethacin, European Pharmacopoeia (EP) Reference Standard, N-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid, Indomethacin, United States Pharmacopeia (USP) Reference Standard, .alpha.-(1-(p-Chlorobenzoyl)-2-methyl-5-methoxy-3-indolyl)acetic acid, [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid #, 1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid & MAP-30, 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl- (9CI), 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2 methylindol-3-yl}acetic acid, 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2methylindol-3-yl}acetic acid, Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl- (8CI), Indomethacin, Pharmaceutical Secondary Standard, Certified Reference Material, InChI=1/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1,4-Dioxane | 293.15 | - | 107.3 | [368] |
| 1,4-Dioxane | 298.15 | - | 124.7 | [368] |
| 1,4-Dioxane | 303.15 | - | 147.5 | [368] |
| 1,4-Dioxane | 308.15 | - | 179.3 | [368] |
| 1,4-Dioxane | 313.15 | - | 205.7 | [368] |
| 1-Propanol | 298.15 | - | 20.7 | [228] |
| Acetone | 293.0 | - | 90.7 | [370] |
| Acetone | 298.0 | - | 102.8 | [370] |
| Acetone | 298.15 | - | 115.8 | [228] |
| Acetone | 303.0 | - | 115.8 | [370] |
| Acetone | 308.0 | - | 133.7 | [370] |
| Acetone | 313.0 | - | 154.1 | [370] |
| Acetone | 318.0 | - | 177.7 | [370] |
| Acetonitrile | 298.15 | - | 16.22 | [228] |
| Carbon tetrachloride | 298.15 | - | 0.155 | [228] |
| Chlorobenzene | 298.15 | - | 8.07 | [228] |
| Chloroform | 298.15 | - | 39.17 | [228] |
| Cyclohexane | 298.15 | - | 0.06153 | [228] |
| Ethanol | 298.15 | - | 27.02 | [228] |
| Ethyl acetate | 298.15 | - | 40.77 | [228] |
| Ethylene Glycol | 298.15 | - | 3.258 | [228] |
| Heptane | 298.15 | - | 0.0015 | [228] |
| Hexane | 298.15 | - | 0.0013 | [228] |
| Isopropanol | 298.15 | - | 21.73 | [228] |
| Methanol | 298.15 | - | 20.07 | [228] |
| Pentane | 298.15 | - | 0.00102 | [228] |
| Toluene | 298.15 | - | 3.043 | [228] |
| Water | 293.15 | - | 0.0155 | [368] |
| Water | 293.15 | - | 9.0 × 10⁻⁴ | [369] |
| Water | 298.15 | - | 0.01846 | [368] |
| Water | 298.15 | - | 9.9 × 10⁻⁴ | [369] |
| Water | 303.15 | - | 0.0218 | [368] |
| Water | 303.15 | - | 0.00105 | [369] |
| Water | 308.15 | - | 0.02507 | [368] |
| Water | 308.15 | - | 0.0011 | [369] |
| Water | 313.15 | - | 0.02995 | [368] |
| Water | 313.15 | - | 0.0012 | [369] |
| Water | 318.15 | - | 0.0012 | [369] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1560.4926 |
| PMI2 | 4649.7534 |
| PMI3 | 5916.9930 |
| NPR1 | 0.2637 |
| NPR2 | 0.7858 |
| RadiusOfGyration | 4.1167 |
| InertialShapeFactor | 0.0005 |
| Eccentricity | 0.9646 |
| Asphericity | 0.4097 |
| SpherocityIndex | 0.1410 |
| PBF | 0.7122 |