<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">133999</id>
  <title nil="true"/>
  <common-name>Rostaporfin</common-name>
  <description nil="true"/>
  <cas>284041-10-7</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C37H42ClN4O2Sn</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">2026-04-14T16:19:40Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:22:42Z</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>DB06659</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>[Cl-].[Sn+4].CCOC(=O)C1=CC2=C3[N-]\C(=C/C4=N/C(=C\C5=C(CC)C(C)=C([N-]5)\C=C5/N=C2C(C)=C5CC)/C(C)=C4CC)[C@@H](C)[C@]13CC</moldb-smiles>
  <moldb-formula>C37H42ClN4O2Sn</moldb-formula>
  <moldb-inchi>InChI=1S/C37H43N4O2.ClH.Sn/c1-10-23-19(6)29-17-33-25(12-3)21(8)34(40-33)26-15-27(36(42)43-14-5)37(13-4)22(9)30(41-35(26)37)18-32-24(11-2)20(7)28(39-32)16-31(23)38-29;;/h15-18,22H,10-14H2,1-9H3,(H-,38,39,40,41,42);1H;/q-1;;+4/p-2/t22-,37-;;/m1../s1</moldb-inchi>
  <moldb-inchikey>DMAHZCZCPVOYGS-ZLSDMPCXSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">728.93</moldb-average-mass>
  <moldb-mono-mass type="decimal">729.201283</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>10.24</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>CHEM129892</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>tin(4+) (5R,26S)-4-(ethoxycarbonyl)-5,11,16,21-tetraethyl-12,17,22,26-tetramethyl-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1(23),2(6),3,8,10(25),11,13,15,17,19,21-undecaene-7,24-diide chloride</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"/>
</compound>
