333240 <common-name>[(3s,3ar,6s,6as)-3-[4-[3-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate</common-name> <description>[(3s,3ar,6s,6as)-3-[4-[3-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate is a chemical compound with the formula C22H31N5O5. It has an average molecular weight of 445.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3077386</pubchem-id> <chemical-formula>C22H31N5O5</chemical-formula> <weight>445.5</weight> <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">2026-08-30T14:33:08Z</created-at> <updated-at type="dateTime">2026-08-30T14:33:08Z</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>CC1=C(C2=C(C=C1)N(C=N2)CCCN3CCN(CC3)C4COC5C4OCC5O[N+](=O)[O-])C</moldb-smiles> <moldb-formula>C22H31N5O5</moldb-formula> <moldb-inchi>InChI=1S/C22H31N5O5/c1-15-4-5-17-20(16(15)2)23-14-26(17)7-3-6-24-8-10-25(11-9-24)18-12-30-22-19(32-27(28)29)13-31-21(18)22/h4-5,14,18-19,21-22H,3,6-13H2,1-2H3/t18-,19-,21+,22+/m0/s1</moldb-inchi> <moldb-inchikey>FDYNPQIPBROUDE-SEIRJHJZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">445.2325191</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <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>CHEM329133</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>[(3s,3ar,6s,6as)-3-[4-[3-(4,5-dimethylbenzimidazol-1-yl)propyl]piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate</iupac> <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"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzimidazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0283724</sync-id> <structure-inchikey>FDYNPQIPBROUDE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>440000002080000000000000000000000000000000000400000008000000000000000000000000000000200000000020200000000000000000000000000000000000000080000000000000002480000000010000100000000040000000000228000000020000000000000000800002090000000000000000000010000000804000000001000000000000400000000000000000000000000000000000000120000000000000000108090000000000000009001000a008000000000000000000000000000002000000000000004000500000002800800200000000010000000001040002000040000000014010000000001000000000000004000000</structure-fingerprint> 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