{"atc_classifications": ["N06AX16"], "availability_type": 1, "biotherapeutic": null, "black_box_warning": 1, "chemical_probe": 0, "chirality": 0, "cross_references": [], "dosed_ingredient": false, "first_approval": 1993, "first_in_class": 0, "helm_notation": null, "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL637", "molecule_hierarchy": {"active_chembl_id": "CHEMBL637", "molecule_chembl_id": "CHEMBL637", "parent_chembl_id": "CHEMBL637"}, "molecule_properties": {"alogp": "3.04", "aromatic_rings": 1, "full_molformula": "C17H27NO2", "full_mwt": "277.41", "hba": 3, "hbd": 1, "heavy_atoms": 20, "mw_freebase": "277.41", "np_likeness_score": "0.13", "num_ro5_violations": 0, "psa": "32.70", "qed_weighted": "0.90", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1", "molfile": "\n RDKit 2D\n\n 20 21 0 0 0 0 0 0 0 0999 V2000\n 4.7417 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1250 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7417 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3542 -7.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3542 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1292 -6.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9542 -7.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7750 -8.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7417 -5.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1292 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3542 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7417 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5125 -7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1250 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5750 -7.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9542 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3542 -4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9042 -7.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5125 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9042 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0\n 3 1 1 0\n 4 1 1 0\n 5 3 1 0\n 6 3 2 0\n 7 4 1 0\n 8 2 1 0\n 9 10 2 0\n 10 6 1 0\n 11 5 2 0\n 12 9 1 0\n 13 2 1 0\n 14 2 1 0\n 15 7 1 0\n 16 7 1 0\n 17 12 1 0\n 18 13 1 0\n 19 14 1 0\n 20 18 1 0\n 9 11 1 0\n 20 19 1 0\nM END\n> \nCHEMBL637\n\n> \nVENLAFAXINE", "standard_inchi": "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3", "standard_inchi_key": "PNVNVHUZROJLTJ-UHFFFAOYSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Alventa xl", "syn_type": "TRADE_NAME", "synonyms": "ALVENTA XL"}, {"molecule_synonym": "Amphero xl", "syn_type": "TRADE_NAME", "synonyms": "AMPHERO XL"}, {"molecule_synonym": "Bonilux xl", "syn_type": "TRADE_NAME", "synonyms": "BONILUX XL"}, {"molecule_synonym": "Depefex xl", "syn_type": "TRADE_NAME", "synonyms": "DEPEFEX XL"}, {"molecule_synonym": "Efectin", "syn_type": "OTHER", "synonyms": "EFECTIN"}, {"molecule_synonym": "Efexor", "syn_type": "TRADE_NAME", "synonyms": "EFEXOR"}, {"molecule_synonym": "Efexor xl", "syn_type": "TRADE_NAME", "synonyms": "EFEXOR XL"}, {"molecule_synonym": "Foraven xl", "syn_type": "TRADE_NAME", "synonyms": "FORAVEN XL"}, {"molecule_synonym": "Kanghong", "syn_type": "OTHER", "synonyms": "KANGHONG"}, {"molecule_synonym": "Mentaven xl", "syn_type": "TRADE_NAME", "synonyms": "MENTAVEN XL"}, {"molecule_synonym": "NSC-758676", "syn_type": "RESEARCH_CODE", "synonyms": "NSC-758676"}, {"molecule_synonym": "Politid xl", "syn_type": "TRADE_NAME", "synonyms": "POLITID XL"}, {"molecule_synonym": "Ranfaxine xl", "syn_type": "TRADE_NAME", "synonyms": "RANFAXINE XL"}, {"molecule_synonym": "Rodomel xl", "syn_type": "TRADE_NAME", "synonyms": "RODOMEL XL"}, {"molecule_synonym": "Sunveniz xl", "syn_type": "TRADE_NAME", "synonyms": "SUNVENIZ XL"}, {"molecule_synonym": "Tardcaps xl", "syn_type": "TRADE_NAME", "synonyms": "TARDCAPS XL"}, {"molecule_synonym": "Tifaxin xl", "syn_type": "TRADE_NAME", "synonyms": "TIFAXIN XL"}, {"molecule_synonym": "Tonpular xl", "syn_type": "TRADE_NAME", "synonyms": "TONPULAR XL"}, {"molecule_synonym": "Trevilor", "syn_type": "OTHER", "synonyms": "TREVILOR"}, {"molecule_synonym": "Trixat xl", "syn_type": "TRADE_NAME", "synonyms": "TRIXAT XL"}, {"molecule_synonym": "Vaxalin xl", "syn_type": "TRADE_NAME", "synonyms": "VAXALIN XL"}, {"molecule_synonym": "Velafax", "syn_type": "OTHER", "synonyms": "VELAFAX"}, {"molecule_synonym": "Venaxx xl", "syn_type": "TRADE_NAME", "synonyms": "VENAXX XL"}, {"molecule_synonym": "Venlablue xl", "syn_type": "TRADE_NAME", "synonyms": "VENLABLUE XL"}, {"molecule_synonym": "Venladex xl", "syn_type": "TRADE_NAME", "synonyms": "VENLADEX XL"}, {"molecule_synonym": "Venlafaxina", "syn_type": "INN_SPANISH", "synonyms": "VENLAFAXINA"}, {"molecule_synonym": "Venlafaxine", "syn_type": "ATC", "synonyms": "VENLAFAXINE"}, {"molecule_synonym": "Venlafaxine", "syn_type": "BAN", "synonyms": "VENLAFAXINE"}, {"molecule_synonym": "Venlafaxine", "syn_type": "BNF", "synonyms": "VENLAFAXINE"}, {"molecule_synonym": "Venlafaxine", "syn_type": "INN", "synonyms": "VENLAFAXINE"}, {"molecule_synonym": "Venlafaxine", "syn_type": "MERCK_INDEX", "synonyms": "VENLAFAXINE"}, {"molecule_synonym": "Venlafaxine", "syn_type": "OTHER", "synonyms": "VENLAFAXINE"}, {"molecule_synonym": "Venlalic xl", "syn_type": "TRADE_NAME", "synonyms": "VENLALIC XL"}, {"molecule_synonym": "Venlaneo xl", "syn_type": "TRADE_NAME", "synonyms": "VENLANEO XL"}, {"molecule_synonym": "Venlor", "syn_type": "OTHER", "synonyms": "VENLOR"}, {"molecule_synonym": "Vensir xl", "syn_type": "TRADE_NAME", "synonyms": "VENSIR XL"}, {"molecule_synonym": "Vexarin xl", "syn_type": "TRADE_NAME", "synonyms": "VEXARIN XL"}, {"molecule_synonym": "Viepax", "syn_type": "TRADE_NAME", "synonyms": "VIEPAX"}, {"molecule_synonym": "Viepax xl", "syn_type": "TRADE_NAME", "synonyms": "VIEPAX XL"}, {"molecule_synonym": "Winfex xl", "syn_type": "TRADE_NAME", "synonyms": "WINFEX XL"}], "molecule_type": "Small molecule", "natural_product": 1, "oral": true, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "VENLAFAXINE", "prodrug": 0, "structure_type": "MOL", "therapeutic_flag": true, "topical": false, "usan_stem": "-faxine", "usan_stem_definition": "antianxiety, antidepressant inhibitor of norepinephrine and dopamine re-uptake", "usan_substem": "-faxine", "usan_year": 1989, "veterinary": 0, "withdrawn_flag": false}