22506 <common-name>Alpha-hydroxymetoprolol</common-name> <description>Alpha-hydroxymetoprolol belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C15H25NO4 and an average molecular weight of 283.36 g/mol.</description> <cas>56392-16-6</cas> <pubchem-id>114962</pubchem-id> <chemical-formula>C15H25NO4</chemical-formula> <weight>283.36</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">2016-05-25T03:29:33Z</created-at> <updated-at type="dateTime">2026-08-19T12:47:01Z</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>COCC(O)C1=CC=C(OCC(O)CNC(C)C)C=C1</moldb-smiles> <moldb-formula>C15H25NO4</moldb-formula> <moldb-inchi>InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3</moldb-inchi> <moldb-inchikey>OFRYBPCSEMMZHR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">283.3633</moldb-average-mass> <moldb-mono-mass type="decimal">283.178358293</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>102899</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>CHEM021401</chemdb-id> <dsstox-id>DTXSID201024019</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00006454</susdat-id> <iupac>1-[4-(1-hydroxy-2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol</iupac> <moldb-polar-surface-area>70.95</moldb-polar-surface-area> <moldb-refractivity>77.90510000000002</moldb-refractivity> <moldb-polarizability>32.22635860507566</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>13.553818504540608</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.666126787389567</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.32</moldb-alogps-logp> <moldb-alogps-logs>-2.30</moldb-alogps-logs> <moldb-alogps-solubility>1.43e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer">124</paper-count> <sync-id>CED0017813</sync-id> <structure-inchikey>OFRYBPCSEMMZHR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000000800002000200000000000040000000000000100000000100001000000000200000000000000000000000000200000000000000000000000080000000000000000002000000000000200000000100000200000000000000020000010000000040000000000000000000000000000000000000000400000800000040000010000000000000000080000000000000000000000000000000000000000000000000002400080000000000000004080000000000000000000000000000020000000000000000000000000000000000000000000200000000000000000000000004000040000000000000000000000000000000000000020200</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:08:51Z</structure-indexed-at> </compound>