<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">137656</id>
  <title nil="true"/>
  <common-name>Adelmidrol</common-name>
  <description>Adelmidrol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C13H26N2O4 and an average molecular weight of 274.36 g/mol.</description>
  <cas>1675-66-7</cas>
  <pubchem-id>176874</pubchem-id>
  <chemical-formula>C13H26N2O4</chemical-formula>
  <weight>274.36</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">2026-04-14T20:35:29Z</created-at>
  <updated-at type="dateTime">2026-08-19T03:00:57Z</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>DB16083</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>OCCNC(=O)CCCCCCCC(=O)NCCO</moldb-smiles>
  <moldb-formula>C13H26N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)</moldb-inchi>
  <moldb-inchikey>PAHZPHDAJQIETD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">274.361</moldb-average-mass>
  <moldb-mono-mass type="decimal">274.189257325</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.72</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>CHEM133549</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>N,N'-bis(2-hydroxyethyl)nonanediamide</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer">220</paper-count>
  <sync-id>CED0014823</sync-id>
  <structure-inchikey>PAHZPHDAJQIETD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800000000000000000000000000004000002000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000400000000000020001000000000000010000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000010080000000002000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000008000004000000000000000000000000000000020000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>206000000000001002000000000000005200000200040020000044002004000800000000001000000000004200004800c10010200643000a00000c4110000000000000080100000420000000000004000001240000420000009000c200000000002000000000054200000200080500100600431180200001000020040001004400008080000000808000811140002444004020000080000000000004300000010c000000009400564211002c0000008010800000000000040020000000004040000000080000400000200000000000200400008000000080000000000080000000000000000004000200000100010804000000000008050000006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������h��������(�������(�������`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������`����������������� ��(�����������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:50:31Z</structure-indexed-at>
</compound>
