335938 <common-name>[(s)-(2-formyl-3,4-dimethoxyphenyl)-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate</common-name> <description>[(s)-(2-formyl-3,4-dimethoxyphenyl)-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate is a chemical compound with the formula C23H25NO8. It has an average molecular weight of 443.40 g/mol.</description> <cas nil="true"/> <pubchem-id>125307958</pubchem-id> <chemical-formula>C23H25NO8</chemical-formula> <weight>443.4</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">2026-08-30T18:12:45Z</created-at> <updated-at type="dateTime">2026-08-30T18:12:45Z</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)OC(C1C2=C(C3=C(C=C2CCN1C)OCO3)O)C4=C(C(=C(C=C4)OC)OC)C=O</moldb-smiles> <moldb-formula>C23H25NO8</moldb-formula> <moldb-inchi>InChI=1S/C23H25NO8/c1-12(26)32-22(14-5-6-16(28-3)21(29-4)15(14)10-25)19-18-13(7-8-24(19)2)9-17-23(20(18)27)31-11-30-17/h5-6,9-10,19,22,27H,7-8,11H2,1-4H3/t19-,22+/m1/s1</moldb-inchi> <moldb-inchikey>XKBBRFAPWMBHPG-KNQAVFIVSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">443.1580168</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>CHEM331831</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>[(s)-(2-formyl-3,4-dimethoxyphenyl)-[(5r)-4-hydroxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] 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>Organoheterocyclic compounds</superklass> <klass>Isoquinolines and derivatives</klass> <subklass>Benzylisoquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286404</sync-id> <structure-inchikey>XKBBRFAPWMBHPG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000401000300000000000000000000000000200080004400400000000000000000400400020000000000000000000000400000008002400000000000000080000000000000040000000020800000040300010000000000000000000000050000000040000000120000000000020100800000000000000800500010000041000000000800000008004000000000000000000000080000000000000200000000000004000000080020000000000000000000008000000000000080000000000010012000000400008000000000000000000000200200000000000090000000000000010040008000400400000040000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ���#���€���`�������(�������(�������(�������`�������`������@(������@(������@(������@(������@h�������@(�������`�������`������� ������`�������(�������`�������(�������h�������@(������@(������@(������@(������@h�������@h��������(�������`�������(�������`�������h��������(�����������(��� �����������h���h�� h� h� �h����� � ����� � �������� �����h���h���h���h���h��� ����� ����� ��(������h��� ��h�B������� ���� ������ ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:31Z</structure-indexed-at> </compound>