Compound: mebeverine
SMILES: O=C(OCCCCN(C(Cc1ccc(OC)cc1)C)CC)c2cc(OC)c(OC)cc2
InChIKey: VYVKHNNGDFVQGA-UHFFFAOYSA-N
Synonyms: mebeverine, 3625-06-7, Mebeverina, Mebeverinum, Arluy, Duspatalin, 7F80CC3NNV, Benzoic acid, 3,4-dimethoxy-, 4-(ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)butyl ester, 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate, DTXSID6023238, Veratric acid, 4-((ethyl(p-methoxy-alpha-methylphenethyl))amino)butyl ester, Benzoic acid, 3,4-dimethoxy-, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl ester, spasmotalin, 4-(ethyl-(1-(4-methoxyphenyl)propan-2-yl)amino)butyl 3,4-dimethoxybenzoate, 3,4-dimethoxybenzoic acid 4-(ethyl-(2-(4-methoxyphenyl)-1-methyl-ethyl)amino)butyl ester, 3,4-dimethoxybenzoic acid 4-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]butyl ester, (+-)-Mebeverine, 4-(ethyl-(4-methoxy-alpha-methylphenethyl)aminobutyl) veratrate, RefChem:810811, DTXCID803238, A03AA04, 222-830-4, Mebeverine (INN), 4-{ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butyl 3,4-dimethoxybenzoate, MEBEVERINE [INN], Veratric acid, 4-((ethyl(p-methoxy-.alpha.-methylphenethyl))amino)butyl ester, Mebeverine [INN:BAN], Mebeverinum [INN-Latin], Mebeverina [INN-Spanish], Arluy (TN), NSC169101, Mebavine, 4-[Ethyl(p-methoxy-.alpha.-methylphenethyl)amino]butyl veratrate, 4-(ETHYL(P-METHOXY-.ALPHA.-METHYLPHENETHYL)AMINO)BUTYL VERATRATE, EINECS 222-830-4, Mebeverine (USAN)(*hydrochloride*), BRN 2783282, Spectrum_000435, MEBEVERINE [MI], Prestwick0_000310, Prestwick1_000310, Prestwick2_000310, Prestwick3_000310, Spectrum2_001404, Spectrum3_000918, Spectrum4_001017, Spectrum5_001315, UNII-7F80CC3NNV, MEBEVERINE [WHO-DD], SCHEMBL25804, BSPBio_000280, KBioGR_001513, KBioSS_000915, DivK1c_000045, SPBio_001448, SPBio_002499, BPBio1_000308, CHEMBL282121, GTPL9011, orb1309930, CHEBI:91514, KBio1_000045, KBio2_000915, KBio2_003483, KBio2_006051, KBio3_001896, NINDS_000045, ALBB-028955, EBC-27071, STL483420, 4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)butyl 3,4-dimethoxybenzoate, AKOS025141920, DB12554, FM65996, 4-(ethyl{1-methyl-2-[4-(methyloxy)phenyl]ethyl}amino)butyl 3,4-bis(methyloxy)benzoate, Benzoic acid, 3,4-dimethoxy-, {4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl} ester, IDI1_000045, NCGC00018277-02, AS-75957, SBI-0051645.P002, AB00053597, NS00002334, D08160, H63786, AB00053597_13, EN300-19767755, Q418167, BRD-A09467419-003-04-2, BRD-A09467419-003-14-1, BRD-A09467419-003-22-4, 3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester, 3,4-dimethoxybenzoic acid 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]-butylester, 4-(Ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino)butyl 3,4-dimethoxybenzoate #, 4-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]butyl 3,4-dimethoxybenzoate, Veratric acid, 4-[ethyl(p-methoxy-.alpha.-methylphenethyl)amino]-, butyl ester-
Theoretical properties:
molecular_formula: C25H35NO5
molecular_weight: 429.5 g/mol
exact_mass: 429.25152322 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 14
heavy_atom_count: 31
topological_polar_surface_area: 57.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester is a methoxybenzoic acid.
chembl: MEBEVERINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Mebeverine is a drug used to alleviate some of the symptoms of irritable bowel syndrome. It works by relaxing the muscles in and around the gut.