141328 <common-name>Voluloride</common-name> <description nil="true"/> <cas>1498299-91-4</cas> <pubchem-id nil="true"/> <chemical-formula>C38H67ClN18O4</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">2026-04-15T17:38:50Z</created-at> <updated-at type="dateTime">2026-05-14T20:38:48Z</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>DB20854</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>N[C@H](CCCCNC(N)=N)C(=O)NCCCN(CCCNC(=O)[C@H](N)CCCCNC(N)=N)CCOC1=CC=C(CCCCNC(=N)NC(=O)C2=C(N)N=C(N)C(Cl)=N2)C=C1</moldb-smiles> <moldb-formula>C38H67ClN18O4</moldb-formula> <moldb-inchi>InChI=1S/C38H67ClN18O4/c39-30-32(43)55-31(42)29(54-30)35(60)56-38(48)53-18-4-1-9-25-12-14-26(15-13-25)61-24-23-57(21-7-19-49-33(58)27(40)10-2-5-16-51-36(44)45)22-8-20-50-34(59)28(41)11-3-6-17-52-37(46)47/h12-15,27-28H,1-11,16-24,40-41H2,(H,49,58)(H,50,59)(H4,42,43,55)(H4,44,45,51)(H4,46,47,52)(H3,48,53,56,60)/t27-,28-/m1/s1</moldb-inchi> <moldb-inchikey>OKBDJMKISGUWNG-VSGBNLITSA-N</moldb-inchikey> <moldb-average-mass type="decimal">875.53</moldb-average-mass> <moldb-mono-mass type="decimal">874.5281204</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM137221</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>