Mesalazine

CAS Number: 89-57-6

Molecular Mass: 153.14 g/mol

Formula: C₇H₇NO₃

Smiles: Nc1ccc(O)c(C(=O)O)c1

Synonymes:

Mesalazine, 5-Aminosalicylic acid, mesalamine, 89-57-6, 5-Amino-2-hydroxybenzoic acid, 5-ASA, Fisalamine, Lialda, m-Aminosalicylic acid, Benzoic acid, 5-amino-2-hydroxy-, Apriso, Mesalazina, sfRowasa, Asacolitin, Mesalazinum, Iialda, p-Aminosalicylsaeure, Asacol HD, Pentacol, Delzicol, 3-carboxy-4-hydroxyaniline, Mezavant XL, MAX-002, SALICYLIC ACID, 5-AMINO-, NSC-38877, 4Q81I59GXC, CHEBI:6775, DTXSID5024506, 5 Aminosalicylate, DTXCID804506, 4-14-00-02058 (Beilstein Handbook Reference), NSC38877, Ipocol, m Aminosalicylic Acid, 5 Aminosalicylic Acid, Novo 5 ASA, meta Aminosalicylic Acid, meta-Aminosalicylic Acid, Hydrochloride, Mesalamine, Monosodium Salt, Mesalamine, Octasa, Pentasa sr, Coltec ec, Mesren mr, Mesalamine Rectal, ZALDYON, RefChem:6004, A07EC02, sfRowasa Sulfite-Free Formulation, 201-919-1, Pentasa, Asacol, Canasa, Claversal, Salofalk, Rowasa, Mesasal, 5-amino-2-hydroxy-benzoic acid, Lixacol, 5-Amino Salicylic Acid, Mesalamine [USAN], 2-Hydroxy-5-aminobenzoic acid, MFCD00007877, 5-AS, NSC 38877, Mesalazine [INN], 5-?Aminosalicylic Acid (Mesalazine), MLS001424012, mesalamine (USAN), 51481-17-5, CAS-89-57-6, NCGC00016344-03, Mesalazinum [Latin], SMR000145728, 5-amino-2-hydroxybenzoic acid,5-Aminosalicylic acid, F1918-0003, Mesalazina [Spanish], p-Aminosalicylsaeure [German], Mesavancol, Mesavance, Mezavant, Mesalazine MMX, Mesalamine (USP), Pentasa (TN), Salofalk Granu-Stix, Apriso (TN), Asacol (TN), Canasa (TN), Lialda (TN), Rowasa (TN), CCRIS 7334, 5-Amino 2-hydroxy benzoic acid, SR-01000763486, Mesalamine [USAN:USP], EINECS 201-919-1, BRN 2090421, UNII-4Q81I59GXC, 5-amino-2-hydroxybenzoicacid, Mesalazin, 3-amino-6-hydroxybenzoic acid, Fisalamine, , Mesalamine, , Mesalazine, , AI3-15564, Claversal, , Pentasa, , Mesalazine CRS, Asacol, , Asalit, , Rowasa, , HSDB 7512, AJG-501, SPD 476, SPD-476, SPD-480, Mesalamine (TN), Delzicol (TN), Sfrowasa (TN), Mesalamine (Lialda), 5-aminosalicylic_acid, MD-0901, 5-Aminosalicyclic acid, 5-amino-salicylic acid, Mesalamine (5-ASA), 5-Aminosalicylic acid, , MESALAMINE [MI], MESALAZINE [JAN], Prestwick0_001069, Prestwick1_001069, Prestwick2_001069, Prestwick3_001069, MESALAMINE [HSDB], WLN: ZR DQ CVQ, Z-206, MESALAMINE [VANDF], CHEMBL704, Epitope ID:613406, Mesalazine (JP18/INN), EC 201-919-1, cid_4075, MESALAZINE [MART.], MESALAMINE [USP-RS], MESALAZINE [WHO-DD], Oprea1_847633, SCHEMBL31297, 3amino-6-hydroxybenzoic acid, BSPBio_001058, KBioGR_002425, KBioSS_002431, MLS000758287, 5-Aminosalicylic acid, 95%, 5-Aminosalicylic acid, tablet, BIDD:GT0811, SCHEMBL343127, SPBio_002969, BPBio1_001164, GTPL2700, orb1310419, orb3139226, SCHEMBL7075986, MESALAMINE [ORANGE BOOK], MESALAZINE [EP IMPURITY], SCHEMBL29354798, 5-Aminosalicylic acid, >=99%, BDBM60918, KBio2_002425, KBio2_004993, KBio2_007561, KBio3_002904, 5-Aminosalicylic acid (5-ASA), MESALAZINE [EP MONOGRAPH], 5-Aminosalicylic Acid (Standard), cMAP_000045, HMS1571E20, HMS2051M21, HMS2090I09, HMS2098E20, HMS3393M21, HMS3649K15, HMS3651M15, HMS3715E20, HMS5079B12, MESALAMINE [USP MONOGRAPH], Pharmakon1600-01505993, SMSSF-0065812, Tox21_110384, Tox21_201610, Tox21_303125, AC8101, BBL013046, EBC-00537, HY-15027R, MSK159016, NSC759301, s1681, SBB052617, Sodium aminosalicylate EP Impurity B, STK301678, Mesalazine for system suitability CRS, AKOS000118959, Tox21_110384_1, AC-2764, CCG-100829, DB00244, FM25111, HS-0100, NC00079, NSC-759301, NCGC00016344-01, NCGC00016344-02, NCGC00016344-04, NCGC00016344-05, NCGC00016344-07, NCGC00090934-01, NCGC00090934-02, NCGC00257142-01, NCGC00259159-01, 5-amino-2-hydroxobenzoic acid monohydrate, BP-13074, DA-70181, HY-15027, SY002854, 5-Aminosalicylic acid, analytical standard, ST4109571, A0317, A2291, AB00374979, NS00004165, SW197303-4, T0646, EN300-18389, C07138, D00377, AB00374979-09, AB00374979-10, AB00374979_11, AB00374979_12, F065629, Q412479, SR-01000763486-3, SR-01000763486-4, SR-01000763486-9, BRD-K28849549-001-11-8, BRD-K28849549-001-12-6, BRD-K28849549-001-13-4, Z57127471, Mesalazine Working Standard (Secondary Reference Standard), Mesalazine, European Pharmacopoeia (EP) Reference Standard, Mesalamine, United States Pharmacopeia (USP) Reference Standard, Mesalamine, Pharmaceutical Secondary Standard, Certified Reference Material, InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11, Mesalazine for system suitability, European Pharmacopoeia (EP) Reference Standard

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	293.2	-	0.2068	[259]
1,4-Dioxane	298.2	-	0.2575	[259]
1,4-Dioxane	303.2	-	0.3165	[259]
1,4-Dioxane	308.2	-	0.3783	[259]
1,4-Dioxane	313.2	-	0.4834	[259]
1-Propanol	293.2	-	0.1155	[262]
1-Propanol	298.2	-	0.124	[262]
1-Propanol	303.2	-	0.133	[262]
1-Propanol	308.2	-	0.1428	[262]
1-Propanol	313.2	-	0.1533	[262]
Carbon tetrachloride	293.15	-	4.619	[257]
Carbon tetrachloride	295.15	-	4.807	[257]
Carbon tetrachloride	297.15	-	4.908	[257]
Carbon tetrachloride	299.15	-	4.924	[257]
Carbon tetrachloride	301.15	-	4.98	[257]
Carbon tetrachloride	303.15	-	5.013	[257]
Carbon tetrachloride	305.15	-	5.198	[257]
Carbon tetrachloride	307.15	-	5.394	[257]
Carbon tetrachloride	309.15	-	5.652	[257]
Carbon tetrachloride	311.15	-	5.773	[257]
Carbon tetrachloride	313.15	-	5.949	[257]
Diethylene Glycol Monoethyl Ether	293.2	-	2.101	[256]
Diethylene Glycol Monoethyl Ether	298.2	-	2.283	[256]
Diethylene Glycol Monoethyl Ether	303.2	-	2.35	[256]
Diethylene Glycol Monoethyl Ether	308.2	-	2.474	[256]
Diethylene Glycol Monoethyl Ether	313.2	-	2.651	[256]
Ethanol	293.15	-	4.641	[257]
Ethanol	293.2	-	0.1415	[255]
Ethanol	293.2	-	0.1378	[256]
Ethanol	295.15	-	5.066	[257]
Ethanol	297.15	-	5.543	[257]
Ethanol	298.2	-	0.1597	[255]
Ethanol	298.2	-	0.1574	[256]
Ethanol	299.15	-	5.89	[257]
Ethanol	301.15	-	6.085	[257]
Ethanol	303.15	-	6.482	[257]
Ethanol	303.2	-	0.169	[255]
Ethanol	303.2	-	0.1736	[256]
Ethanol	305.15	-	7.11	[257]
Ethanol	307.15	-	7.635	[257]
Ethanol	308.2	-	0.1985	[255]
Ethanol	308.2	-	0.1977	[256]
Ethanol	309.15	-	7.983	[257]
Ethanol	311.15	-	8.327	[257]
Ethanol	313.15	-	8.896	[257]
Ethanol	313.2	-	0.2148	[255]
Ethanol	313.2	-	0.2143	[256]
Ethylene Glycol	293.2	-	3.548	[261]
Ethylene Glycol	298.2	-	4.14	[261]
Ethylene Glycol	303.2	-	4.73	[261]
Ethylene Glycol	308.2	-	5.424	[261]
Ethylene Glycol	313.2	-	6.197	[261]
Isopropanol	293.2	-	0.1051	[258]
Isopropanol	298.2	-	0.1077	[258]
Isopropanol	303.2	-	0.1107	[258]
Isopropanol	308.2	-	0.114	[258]
Isopropanol	313.2	-	0.1182	[258]
Methanol	293.15	-	5.33	[257]
Methanol	295.15	-	5.859	[257]
Methanol	297.15	-	6.426	[257]
Methanol	299.15	-	7.055	[257]
Methanol	301.15	-	7.572	[257]
Methanol	303.15	-	8.064	[257]
Methanol	305.15	-	8.969	[257]
Methanol	307.15	-	9.848	[257]
Methanol	309.15	-	10.55	[257]
Methanol	311.15	-	11.21	[257]
Methanol	313.15	-	11.71	[257]
N-Methyl-2-pyrrolidone	293.2	-	38.57	[263]
N-Methyl-2-pyrrolidone	298.2	-	42.24	[263]
N-Methyl-2-pyrrolidone	303.2	-	46.4	[263]
N-Methyl-2-pyrrolidone	308.2	-	50.05	[263]
N-Methyl-2-pyrrolidone	313.2	-	53.68	[263]
Propylene Glycol	293.2	-	1.11	[255]
Propylene Glycol	298.2	-	1.163	[255]
Propylene Glycol	303.2	-	1.208	[255]
Propylene Glycol	308.2	-	1.256	[255]
Propylene Glycol	313.2	-	1.274	[255]
Tetrahydrofuran	293.15	-	8332.1	[257]
Tetrahydrofuran	295.15	-	8544.4	[257]
Tetrahydrofuran	297.15	-	8758.3	[257]
Tetrahydrofuran	299.15	-	8982.6	[257]
Tetrahydrofuran	301.15	-	9224.5	[257]
Tetrahydrofuran	303.15	-	9470.9	[257]
Tetrahydrofuran	305.15	-	9727.6	[257]
Tetrahydrofuran	307.15	-	1.0 × 10⁴	[257]
Tetrahydrofuran	309.15	-	1.03 × 10⁴	[257]
Tetrahydrofuran	311.15	-	1.061 × 10⁴	[257]
Tetrahydrofuran	313.15	-	1.093 × 10⁴	[257]
Water	293.15	-	0.755	[22]
Water	293.2	-	1.018	[259]
Water	293.2	-	0.8656	[260]
Water	293.2	-	0.751	[261]
Water	298.15	-	0.89	[22]
Water	298.2	-	1.109	[259]
Water	298.2	-	0.9907	[260]
Water	298.2	-	0.8891	[261]
Water	303.15	-	0.9565	[22]
Water	303.2	-	1.191	[259]
Water	303.2	-	1.1	[260]
Water	303.2	-	1.006	[261]
Water	308.15	-	1.023	[22]
Water	308.2	-	1.366	[259]
Water	308.2	-	1.214	[260]
Water	308.2	-	1.045	[261]
Water	313.15	-	1.122	[22]
Water	313.2	-	1.548	[259]
Water	313.2	-	1.329	[260]
Water	313.2	-	1.09	[261]

Molecule 3D descriptors

Descriptor	Value
PMI1	273.7991
PMI2	562.0800
PMI3	835.3311
NPR1	0.3278
NPR2	0.6729
RadiusOfGyration	2.3359
InertialShapeFactor	0.0025
Eccentricity	0.9448
Asphericity	0.3388
SpherocityIndex	0.0026
PBF	0.0522