<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141871</id>
  <title nil="true"/>
  <common-name>Fosrolapitant</common-name>
  <description nil="true"/>
  <cas>2573694-38-7</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C27H29F6N2O8P</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">2026-04-15T18:19:56Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:50:09Z</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>DB21723</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>C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1C(=O)OCOP(O)(O)=O)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C27H29F6N2O8P</moldb-formula>
  <moldb-inchi>InChI=1S/C27H29F6N2O8P/c1-17(18-11-20(26(28,29)30)13-21(12-18)27(31,32)33)41-15-25(19-5-3-2-4-6-19)10-9-24(8-7-22(36)34-24)14-35(25)23(37)42-16-43-44(38,39)40/h2-6,11-13,17H,7-10,14-16H2,1H3,(H,34,36)(H2,38,39,40)/t17-,24+,25+/m1/s1</moldb-inchi>
  <moldb-inchikey>PKXQGSOAMISYFP-LJXNEXSDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">654.499</moldb-average-mass>
  <moldb-mono-mass type="decimal">654.156571878</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>CHEM137764</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>
