{"atc_classifications": ["A02BA04"], "availability_type": 2, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": 2, "cross_references": [{"xref_id": "nizatidine", "xref_name": "nizatidine", "xref_src": "DailyMed"}], "dosed_ingredient": true, "first_approval": 1988, "first_in_class": 0, "helm_notation": null, "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL3183075", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3183075", "molecule_chembl_id": "CHEMBL3183075", "parent_chembl_id": "CHEMBL3183075"}, "molecule_properties": {"alogp": "1.32", "aromatic_rings": 1, "full_molformula": "C12H21N5O2S2", "full_mwt": "331.47", "hba": 8, "hbd": 2, "heavy_atoms": 21, "mw_freebase": "331.47", "np_likeness_score": "-2.04", "num_ro5_violations": 0, "psa": "83.33", "qed_weighted": "0.38", "ro3_pass": "N", "rtb": 10}, "molecule_structures": {"canonical_smiles": "CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1", "molfile": "\n     RDKit          2D\n\n 21 21  0  0  0  0  0  0  0  0999 V2000\n   17.3913  -25.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8016  -24.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8016  -26.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6122  -24.9314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8281  -25.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1000  -25.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8281  -26.0027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6122  -26.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3913  -27.0238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6267  -24.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3913  -24.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1144  -24.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4024  -25.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3354  -26.3081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9205  -25.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5707  -27.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1605  -26.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4080  -26.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6938  -24.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6267  -26.3081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.0392  -27.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  1  2  3\n  4  6  1  0\n  5  4  2  0\n  6 15  1  0\n  7  8  1  0\n  8  6  2  0\n  9  3  1  0\n 10  2  1  0\n 11  2  2  0\n 12  5  1  0\n 20  3  1  0\n 13 12  1  0\n 14 17  1  0\n 15 14  1  0\n 16  9  1  0\n 17 16  1  0\n 18 13  1  0\n 19 13  1  0\n  5  7  1  0\n 20 21  1  0\nM  CHG  2   2   1  10  -1\nM  END\n> <chembl_id>\nCHEMBL3183075\n\n> <chembl_pref_name>\nNIZATIDINE", "standard_inchi": "InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3", "standard_inchi_key": "SGXXNSQHWDMGGP-UHFFFAOYSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Acinon", "syn_type": "OTHER", "synonyms": "ACINON"}, {"molecule_synonym": "Axid", "syn_type": "TRADE_NAME", "synonyms": "AXID"}, {"molecule_synonym": "Axid ar", "syn_type": "TRADE_NAME", "synonyms": "AXID AR"}, {"molecule_synonym": "LY 139037", "syn_type": "RESEARCH_CODE", "synonyms": "LY 139037"}, {"molecule_synonym": "LY-139037", "syn_type": "RESEARCH_CODE", "synonyms": "LY-139037"}, {"molecule_synonym": "Nizatidina", "syn_type": "INN_SPANISH", "synonyms": "NIZATIDINA"}, {"molecule_synonym": "Nizatidine", "syn_type": "ATC", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "BAN", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "BNF", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "FDA", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "INN", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "JAN", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "MERCK_INDEX", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "OTHER", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "TRADE_NAME", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "USAN", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "Nizatidine", "syn_type": "USP", "synonyms": "NIZATIDINE"}, {"molecule_synonym": "NSC-759289", "syn_type": "RESEARCH_CODE", "synonyms": "NSC-759289"}, {"molecule_synonym": "Zinga 150", "syn_type": "TRADE_NAME", "synonyms": "ZINGA 150"}, {"molecule_synonym": "Zinga 300", "syn_type": "TRADE_NAME", "synonyms": "ZINGA 300"}], "molecule_type": "Small molecule", "natural_product": 1, "oral": true, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "NIZATIDINE", "prodrug": 0, "structure_type": "MOL", "therapeutic_flag": true, "topical": false, "usan_stem": "-tidine", "usan_stem_definition": "H2-receptor antagonists (cimetidine type)", "usan_substem": "-tidine", "usan_year": 1983, "veterinary": 0, "withdrawn_flag": false}