354490 <common-name>[(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-17-acetyloxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate</common-name> <description>[(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-17-acetyloxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate is a chemical compound with the formula C37H62N2O4+2. With an average molecular weight of 598.90 g/mol, [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-17-acetyloxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3039508</pubchem-id> <chemical-formula>C37H62N2O4+2</chemical-formula> <weight>598.9</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">2026-08-31T22:03:31Z</created-at> <updated-at type="dateTime">2026-08-31T22:03:31Z</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>CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)CC=C)C</moldb-smiles> <moldb-formula>C37H62N2O4+2</moldb-formula> <moldb-inchi>InChI=1S/C37H62N2O4/c1-7-18-39(21-12-9-13-22-39)32-24-31-29-15-14-28-23-34(42-26(2)40)33(38(6)19-10-8-11-20-38)25-37(28,5)30(29)16-17-36(31,4)35(32)43-27(3)41/h7,28-35H,1,8-25H2,2-6H3/q+2/t28-,29+,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1</moldb-inchi> <moldb-inchikey>CXQCYLCHKZTQRI-VEIKIYIESA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">598.4709585</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.2</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>CHEM350383</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>[(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-17-acetyloxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate</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>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Steroid esters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0304772</sync-id> <structure-inchikey>CXQCYLCHKZTQRI-UHFFFAOYSA-N</structure-inchikey> 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