<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">133379</id>
  <title nil="true"/>
  <common-name>Motexafin lutetium</common-name>
  <description nil="true"/>
  <cas>246252-04-0</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C52H72LuN5O14</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">2026-04-14T15:37:16Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:13:42Z</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>DB05296</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>[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC</moldb-smiles>
  <moldb-formula>C52H72LuN5O14</moldb-formula>
  <moldb-inchi>InChI=1S/C48H66N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;</moldb-inchi>
  <moldb-inchikey>ZCISRIHHEXSWIR-WRIGXHCHSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">1166.136</moldb-average-mass>
  <moldb-mono-mass type="decimal">1165.44836</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.76</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>CHEM129272</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>lutetium(3+) 4,5-diethyl-9,24-bis(3-hydroxypropyl)-16,17-bis({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})-10,23-dimethyl-13,20,25,26,27-pentaazapentacyclo[20.2.1.1^{3,6}.1^{8,11}.0^{14,19}]heptacosa-1,3,5,7,9,11(26),12,14,16,18,20,22(25),23-tridecaen-27-ide diacetate</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">295</paper-count>
  <sync-id>CED0013340</sync-id>
  <structure-inchikey>ZCISRIHHEXSWIR-UHFFFAOYSA-L</structure-inchikey>
  <structure-fingerprint>400400000000000008000000000000000000000800000000000020000000001000000020000000000000000000020000000100000000000000041020000000000000000002000000000000000000000200000080011000010000000100000040a0000010000000040000000100204000000000000000000000800000400400000000040000000044000000020000000000000000000000020001000500000000000000000088000000001080000000000200004080040000000000002000100000000000000010000000000004000000000000000002002000000000000000100400000000001000140000000010400000000000020000080000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������H���I���€�G 
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����h��h��h���l����h���l����h���l����h���l����h���h��� ���������������������� � !�!"��#h�#$ $%�%&amp;�&amp;'�'(�()�)*�*+�+,�,-�-.�#/h�/0h�01l��12h�23l��34h�45l��56h�57 78�89�9:�:;�7&lt;(�&lt;=��&gt; &gt;?�&gt;@(�@A�AB�BC�CD��Eh�EF�FG�E�h�6�l��@� 0�h�&lt;3 B��������E����6543210���������@&gt;����#/0��43&lt;75����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:49:12Z</structure-indexed-at>
</compound>
