17916 <common-name>Nizatidine</common-name> <description nil="true"/> <cas>76963-41-2</cas> <pubchem-id>3033637</pubchem-id> <chemical-formula>C12H21N5O2S2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T03:44:23Z</created-at> <updated-at type="dateTime">2026-05-14T16:43:06Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB00585</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O</moldb-smiles> <moldb-formula>C12H21N5O2S2</moldb-formula> <moldb-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</moldb-inchi> <moldb-inchikey>SGXXNSQHWDMGGP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">331.45</moldb-average-mass> <moldb-mono-mass type="decimal">331.113667284</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.77</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2298266</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM016811</chemdb-id> <dsstox-id>DTXSID5023376</dsstox-id> <toxcast-id>23376</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010189</susdat-id> <iupac>dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine</iupac> <moldb-polar-surface-area>83.33</moldb-polar-surface-area> <moldb-refractivity>95.83799999999997</moldb-refractivity> <moldb-polarizability>35.54285423122338</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>6.54377439339421</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.70</moldb-alogps-logp> <moldb-alogps-logs>-3.93</moldb-alogps-logs> <moldb-alogps-solubility>3.86e-02 g/l</moldb-alogps-solubility> </compound>