<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">140156</id>
  <title nil="true"/>
  <common-name>Flotegatide (18F)</common-name>
  <description nil="true"/>
  <cas>1010702-75-6</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C41H60FN13O13</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">2026-04-15T16:12:51Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:10:16Z</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>DB18826</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(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H]2O[C@@H](CNC(=O)CN3C=C(CCC[18F])N=N3)[C@H](O)[C@@H](O)[C@H]2O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O</moldb-smiles>
  <moldb-formula>C41H60FN13O13</moldb-formula>
  <moldb-inchi>InChI=1S/C41H60FN13O13/c42-13-6-10-23-20-55(54-53-23)21-30(57)47-18-28-32(60)33(61)34(62)35(68-28)40(67)45-14-5-4-11-25-37(64)50-24(12-7-15-46-41(43)44)36(63)48-19-29(56)49-27(17-31(58)59)39(66)52-26(38(65)51-25)16-22-8-2-1-3-9-22/h1-3,8-9,20,24-28,32-35,60-62H,4-7,10-19,21H2,(H,45,67)(H,47,57)(H,48,63)(H,49,56)(H,50,64)(H,51,65)(H,52,66)(H,58,59)(H4,43,44,46)/t24-,25-,26+,27-,28-,32-,33+,34-,35-/m0/s1/i42-1</moldb-inchi>
  <moldb-inchikey>SDQRGILXNZSUMD-ABRGNQFASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">961.01</moldb-average-mass>
  <moldb-mono-mass type="decimal">960.444291711</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>CHEM136049</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 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"/>
</compound>
