{"atc_classifications": ["D10AX04"], "availability_type": null, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": 2, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": 0, "helm_notation": null, "inorganic_flag": 1, "max_phase": "-1.0", "molecule_chembl_id": "CHEMBL4594252", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4594252", "molecule_chembl_id": "CHEMBL4594252", "parent_chembl_id": "CHEMBL4594252"}, "molecule_properties": {"alogp": null, "aromatic_rings": null, "full_molformula": "Al2O3", "full_mwt": "101.96", "hba": null, "hbd": null, "heavy_atoms": null, "mw_freebase": "101.96", "np_likeness_score": null, "num_ro5_violations": null, "psa": null, "qed_weighted": null, "ro3_pass": null, "rtb": null}, "molecule_structures": {"canonical_smiles": "O=[Al]O[Al]=O", "molfile": "\n     RDKit          2D\n\n  5  4  0  0  0  0  0  0  0  0999 V2000\n    3.0176    0.3375    0.0000 Al  0  0  0  0  0  3  0  0  0  0  0  0\n    4.4466    0.3375    0.0000 Al  0  0  0  0  0  3  0  0  0  0  0  0\n    3.7321    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3031    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4466   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  2  0\n  1  3  1  0\n  3  2  1  0\n  5  2  2  0\nM  END\n> <chembl_id>\nCHEMBL4594252\n\n> <chembl_pref_name>\nALUMINIUM OXIDE", "standard_inchi": "InChI=1S/2Al.3O", "standard_inchi_key": "TWNQGVIAIRXVLR-UHFFFAOYSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Alumina", "syn_type": "OTHER", "synonyms": "ALUMINA"}, {"molecule_synonym": "Aluminium lake", "syn_type": "OTHER", "synonyms": "ALUMINIUM LAKE"}, {"molecule_synonym": "Aluminium oxide", "syn_type": "ATC", "synonyms": "ALUMINIUM OXIDE"}, {"molecule_synonym": "Aluminium oxide", "syn_type": "BNF", "synonyms": "ALUMINIUM OXIDE"}, {"molecule_synonym": "Aluminum lake", "syn_type": "OTHER", "synonyms": "ALUMINUM LAKE"}, {"molecule_synonym": "Aluminum oxide", "syn_type": "MERCK_INDEX", "synonyms": "ALUMINUM OXIDE"}, {"molecule_synonym": "Aluminum oxide", "syn_type": "OTHER", "synonyms": "ALUMINUM OXIDE"}, {"molecule_synonym": "Aluminum oxide, activated", "syn_type": "OTHER", "synonyms": "ALUMINUM OXIDE, ACTIVATED"}, {"molecule_synonym": "Aluminum oxide, anhydrous", "syn_type": "OTHER", "synonyms": "ALUMINUM OXIDE, ANHYDROUS"}, {"molecule_synonym": "Alum ox", "syn_type": "TRADE_NAME", "synonyms": "ALUM OX"}, {"molecule_synonym": "Brasivol 1", "syn_type": "TRADE_NAME", "synonyms": "BRASIVOL 1"}, {"molecule_synonym": "Brasivol 2", "syn_type": "TRADE_NAME", "synonyms": "BRASIVOL 2"}, {"molecule_synonym": "Brasivol 3", "syn_type": "TRADE_NAME", "synonyms": "BRASIVOL 3"}], "molecule_type": "Small molecule", "natural_product": 0, "oral": false, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "ALUMINIUM OXIDE", "prodrug": 0, "structure_type": "MOL", "therapeutic_flag": true, "topical": false, "usan_stem": "-ium", "usan_stem_definition": "quaternary ammonium derivatives", "usan_substem": "-ium", "usan_year": null, "veterinary": 0, "withdrawn_flag": false}