118549 <common-name>3-[Benzoyl(methyl)amino]-20-(dimethylamino)pregnan-4-yl acetate (Pachysandrine A)</common-name> <description nil="true"/> <cas>6879-28-3</cas> <pubchem-id>201813</pubchem-id> <chemical-formula>C33H50N2O3</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">2026-04-06T01:48:18Z</created-at> <updated-at type="dateTime">2026-05-21T01:22:39Z</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(C)(N(C)C)[C@@]1([H])CCC2([H])C3([H])CC[C@@]4([H])[C@@]([H])(OC(C)=O)C([H])(CC[C@]4(C)C3([H])CC[C@]12C)N(C)C(=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C33H50N2O3</moldb-formula> <moldb-inchi>InChI=1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21?,24?,25-,26?,27?,28+,29?,30-,32-,33-/m1/s1</moldb-inchi> <moldb-inchikey>ZQUSGHWWSCAMAR-BIVHXRCOSA-N</moldb-inchikey> <moldb-average-mass type="decimal">522.774</moldb-average-mass> <moldb-mono-mass type="decimal">522.3821435</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>174749</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>CHEM114442</chemdb-id> <dsstox-id>DTXSID20988497</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00094284</susdat-id> <iupac>(8xi,9xi,14xi,17S,20S)-3-[Benzoyl(methyl)amino]-20-(dimethylamino)-5alpha-pregnan-4beta-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"/> </compound>