<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">90219</id>
  <title nil="true"/>
  <common-name>3-[[(1-Hydroxy-2-naphthyl)carbonyl]amino]-4-(methyloctadecylamino)benzoic acid</common-name>
  <description>3-[[(1-Hydroxy-2-naphthyl)carbonyl]amino]-4-(methyloctadecylamino)benzoic acid belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is classified within the superclass of benzenoids and has the chemical formula C37H52N2O4. With an average molecular weight of 588.83 g/mol, 3-[[(1-Hydroxy-2-naphthyl)carbonyl]amino]-4-(methyloctadecylamino)benzoic acid is a heavy molecule.</description>
  <cas>20285-77-2</cas>
  <pubchem-id>21116398</pubchem-id>
  <chemical-formula>C37H52N2O4</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">2026-04-05T00:11:03Z</created-at>
  <updated-at type="dateTime">2026-04-05T00:11:03Z</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>CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(O)=O)N=C(O)C1=CC2=CC=CC=C2C(O)=C1</moldb-smiles>
  <moldb-formula>C37H52N2O4</moldb-formula>
  <moldb-inchi>InChI=1/C37H52N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-39(2)34-26-24-30(37(42)43)28-33(34)38-36(41)32-25-23-29-21-18-19-22-31(29)35(32)40/h18-19,21-26,28,40H,3-17,20,27H2,1-2H3,(H,38,41)(H,42,43)</moldb-inchi>
  <moldb-inchikey>NZRIXKUVUIVTFM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">588.833</moldb-average-mass>
  <moldb-mono-mass type="decimal">588.3927081</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM086112</chemdb-id>
  <dsstox-id>DTXSID50942421</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00051268</susdat-id>
  <iupac nil="true"/>
  <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>Naphthalenes</klass>
  <subklass>Naphthalenecarboxylic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0122036</sync-id>
  <structure-inchikey>MHZLYPJCRQHPSV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000200000000800000000004000000000000000000000000000000000004000002000000080000000000000004000001000000000080000000000000000000000000000000050000000000000020000000001000000004000000000000000020010000000800000000104000000000000000020000000000000000000000000040000001800400000000210000100000000100000000002040000000000000000000000000040000084001000800000008020000000000000000000000000000040000002104000000008000040000004000000000000200000000000000000000000001000040000000010400000003000000000000000020000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAArAAAALQAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:33:06Z</structure-indexed-at>
</compound>
