{"molecules": [{"atc_classifications": ["C03DA01"], "availability_type": 1, "biotherapeutic": null, "black_box_warning": 1, "chemical_probe": 0, "chirality": 1, "cross_references": [{"xref_id": "human/EPAR/qaialdo", "xref_name": "qaialdo", "xref_src": "EMA"}, {"xref_id": "veterinary/EPAR/spironolactone-ceva", "xref_name": "spironolactone-ceva", "xref_src": "EMA"}, {"xref_id": "spironolactone", "xref_name": "spironolactone", "xref_src": "DailyMed"}], "dosed_ingredient": true, "first_approval": 1960, "first_in_class": 0, "helm_notation": null, "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL1393", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1393", "molecule_chembl_id": "CHEMBL1393", "parent_chembl_id": "CHEMBL1393"}, "molecule_properties": {"alogp": "4.85", "aromatic_rings": 0, "full_molformula": "C24H32O4S", "full_mwt": "416.58", "hba": 5, "hbd": 0, "heavy_atoms": 29, "mw_freebase": "416.58", "np_likeness_score": "2.25", "num_ro5_violations": 0, "psa": "60.44", "qed_weighted": "0.57", "ro3_pass": "N", "rtb": 1}, "molecule_structures": {"canonical_smiles": "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12", "molfile": "\n     RDKit          2D\n\n 32 36  0  0  1  0  0  0  0  0999 V2000\n    4.1042   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1042   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9417   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7125   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9417   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6292   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3292   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3292   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3042   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4875   -7.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7167   -7.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9417   -7.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3292   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7125   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3125   -4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6250   -6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4875   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9167   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0417   -5.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8667   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2167   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8917   -3.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2875   -8.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2542   -7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6375   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8667   -6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0917   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9375   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5250   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9375   -6.8542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3167   -5.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7042   -6.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3 13  1  0\n  4  1  1  0\n  5  7  1  0\n  6  3  1  0\n  7  4  1  0\n  8  7  1  0\n  6  9  1  1\n 10  2  2  0\n 11  2  1  0\n  8 12  1  6\n 13 14  1  0\n 14  4  1  0\n 15  9  1  0\n 16  5  1  0\n 17  1  1  0\n 18 12  1  0\n 19 16  1  0\n 20 26  1  0\n 21  6  1  0\n 22 15  2  0\n 23 18  2  0\n 24 20  2  0\n 25 21  1  0\n 26 17  1  0\n  1 27  1  1\n  3 28  1  1\n 29 18  1  0\n  5 30  1  6\n  7 31  1  1\n  4 32  1  6\n  8 11  1  0\n 20 10  1  0\n  5  3  1  0\n 19  6  1  0\n 25 15  1  0\nM  END\n> <chembl_id>\nCHEMBL1393\n\n> <chembl_pref_name>\nSPIRONOLACTONE", "standard_inchi": "InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1", "standard_inchi_key": "LXMSZDCAJNLERA-ZHYRCANASA-N"}, "molecule_synonyms": [{"molecule_synonym": "Abbolactone", "syn_type": "TRADE_NAME", "synonyms": "ABBOLACTONE"}, {"molecule_synonym": "Aldactone", "syn_type": "TRADE_NAME", "synonyms": "ALDACTONE"}, {"molecule_synonym": "Carospir", "syn_type": "TRADE_NAME", "synonyms": "CAROSPIR"}, {"molecule_synonym": "Diatensec", "syn_type": "TRADE_NAME", "synonyms": "DIATENSEC"}, {"molecule_synonym": "Espironolactona", "syn_type": "INN_SPANISH", "synonyms": "ESPIRONOLACTONA"}, {"molecule_synonym": "Gx spironol", "syn_type": "TRADE_NAME", "synonyms": "GX SPIRONOL"}, {"molecule_synonym": "Laractone", "syn_type": "TRADE_NAME", "synonyms": "LARACTONE"}, {"molecule_synonym": "NSC-150399", "syn_type": "RESEARCH_CODE", "synonyms": "NSC-150399"}, {"molecule_synonym": "Qaialdo", "syn_type": "TRADE_NAME", "synonyms": "QAIALDO"}, {"molecule_synonym": "SC-9420", "syn_type": "RESEARCH_CODE", "synonyms": "SC-9420"}, {"molecule_synonym": "Spiretic", "syn_type": "TRADE_NAME", "synonyms": "SPIRETIC"}, {"molecule_synonym": "Spiroctan 100", "syn_type": "TRADE_NAME", "synonyms": "SPIROCTAN 100"}, {"molecule_synonym": "Spiroctan 25", "syn_type": "TRADE_NAME", "synonyms": "SPIROCTAN 25"}, {"molecule_synonym": "Spiroctan 50", "syn_type": "TRADE_NAME", "synonyms": "SPIROCTAN 50"}, {"molecule_synonym": "Spironolactone", "syn_type": "ATC", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "BAN", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "BNF", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "EMA", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "FDA", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "INN", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "JAN", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "MERCK_INDEX", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "OTHER", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "TRADE_NAME", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone", "syn_type": "USP", "synonyms": "SPIRONOLACTONE"}, {"molecule_synonym": "Spironolactone ceva", "syn_type": "OTHER", "synonyms": "SPIRONOLACTONE CEVA"}, {"molecule_synonym": "Spironolactone ceva", "syn_type": "TRADE_NAME", "synonyms": "SPIRONOLACTONE CEVA"}, {"molecule_synonym": "Spironolactone component of aldactazide", "syn_type": "TRADE_NAME", "synonyms": "SPIRONOLACTONE COMPONENT OF ALDACTAZIDE"}, {"molecule_synonym": "Spironolactone component of cardalis", "syn_type": "TRADE_NAME", "synonyms": "SPIRONOLACTONE COMPONENT OF CARDALIS"}, {"molecule_synonym": "Spironolactonum", "syn_type": "OTHER", "synonyms": "SPIRONOLACTONUM"}, {"molecule_synonym": "Spirospare 100", "syn_type": "TRADE_NAME", "synonyms": "SPIROSPARE 100"}, {"molecule_synonym": "Spirospare 25", "syn_type": "TRADE_NAME", "synonyms": "SPIROSPARE 25"}, {"molecule_synonym": "Verospirone", "syn_type": "OTHER", "synonyms": "VEROSPIRONE"}], "molecule_type": "Small molecule", "natural_product": 1, "oral": true, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "SPIRONOLACTONE", "prodrug": 0, "structure_type": "MOL", "therapeutic_flag": true, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": 1, "withdrawn_flag": false}], "page_meta": {"limit": 20, "next": null, "offset": 0, "previous": null, "total_count": 1}}