7974 <common-name>NEOTAME</common-name> <description nil="true"/> <cas>165450-17-9</cas> <pubchem-id>3804937</pubchem-id> <chemical-formula>C20H30N2O5</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">2016-05-19T02:18:42Z</created-at> <updated-at type="dateTime">2026-03-27T01:51:10Z</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 nil="true"/> <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>[H][C@@](CC(O)=O)(NCCC(C)(C)C)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(=O)OC</moldb-smiles> <moldb-formula>C20H30N2O5</moldb-formula> <moldb-inchi>InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1</moldb-inchi> <moldb-inchikey>HLIAVLHNDJUHFG-HOTGVXAUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">378.469</moldb-average-mass> <moldb-mono-mass type="decimal">378.215472074</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3032042</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>CHEM006869</chemdb-id> <dsstox-id>DTXSID50167950</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00007809</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>108.22000000000001</moldb-polar-surface-area> <moldb-refractivity>101.4118</moldb-refractivity> <moldb-polarizability>40.47787167112711</moldb-polarizability> <moldb-rotatable-bond-count>12</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>3.1916052190340896</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.128468506471338</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.02</moldb-alogps-logp> <moldb-alogps-logs>-4.07</moldb-alogps-logs> <moldb-alogps-solubility>3.24e-02 g/l</moldb-alogps-solubility> </compound>