135432 <common-name>Epetraborole</common-name> <description>Epetraborole belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the formula C11H16BNO4 and an average molecular weight of 237.06 g/mol.</description> <cas>1093643-37-8</cas> <pubchem-id>46836890</pubchem-id> <chemical-formula>C11H16BNO4</chemical-formula> <weight>237.06</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">2026-04-14T18:21:38Z</created-at> <updated-at type="dateTime">2026-08-18T11:26:34Z</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>DB11744</drugbank-id> <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>NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO</moldb-smiles> <moldb-formula>C11H16BNO4</moldb-formula> <moldb-inchi>InChI=1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1</moldb-inchi> <moldb-inchikey>FXQIIDINBDJDKL-SNVBAGLBSA-N</moldb-inchikey> <moldb-average-mass type="decimal">237.06</moldb-average-mass> <moldb-mono-mass type="decimal">237.117238</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.43</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>CHEM131325</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)-3-(aminomethyl)-7-(3-hydroxypropoxy)-1,3-dihydro-2,1-benzoxaborol-1-ol</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>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer">119</paper-count> <sync-id>CED0018018</sync-id> <structure-inchikey>FXQIIDINBDJDKL-SNVBAGLBSA-N</structure-inchikey> <structure-fingerprint>10040000000000000000800000000000000000000000000000000002000000000000000000000000000000000080100000000000000000000000004000008000000000200000000000000000000000000000800000000100000000000000000000000000010000000000000000000001000000000000000000000400000000101001000000000000800000000020020000001000000000000000000004000000001000100000080000000000080000002000000000080000000000080102000000000000000000000100000000000000000000000000200000000200000000000000000000000000000040000000010000000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>4200000001220200a0400040010820000200040805052000203430404200002c40220050128000002000410800810000042001e420ac32010002643000a44200c411040002900e000090500040620200000001807101113240000422002001008c28040602408202200010805c340011240684908101e0041118202002110102404408084c50820808000210e80c0008311c8013440054820020080020c0008400cb00001000c000020009c8217c211003c0040089410a40188042800840021000000084040000130380c0002401028004200000020052600d2002040800018030900810000100000000040209822004081010189040000a000001015a080002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABBwBgAAAAAQIGAGAAAAAC AgYgNAAAAAEBBAgAIAAAAAIFACgAAAADAwgAYAAAAAEBBkAoAAAAAwQGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMECAAoAAAA AwIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIIAGAAAAABAQsAAQABAgACAwAD BAAEBQAEBgAGB2gMBwhoDAgJaAwJCmgMCgtoDAsMIAwNAA0OAA4PAA8QAAcC AAsGaAxCAgAAAAUCAwQGBwYICQoLBgcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:49:34Z</structure-indexed-at> </compound>