<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323423</id>
  <title nil="true"/>
  <common-name>(ne)-n-[[(15s,19s)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]methylidene]hydroxylamine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>9587930</pubchem-id>
  <chemical-formula>C20H25N3O</chemical-formula>
  <weight>323.4</weight>
  <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">2026-08-30T00:07:43Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:07:43Z</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>CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)C=NO</moldb-smiles>
  <moldb-formula>C20H25N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C20H25N3O/c1-2-20-9-5-10-22-11-8-16-15-6-3-4-7-17(15)23(18(16)19(20)22)14(12-20)13-21-24/h3-4,6-7,13-14,19,24H,2,5,8-12H2,1H3/b21-13+/t14?,19-,20+/m1/s1</moldb-inchi>
  <moldb-inchikey>RNHQTTKBVIUJPA-MHZLKGOJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">323.1997624</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM319316</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>(ne)-n-[[(15s,19s)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]methylidene]hydroxylamine</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>Organic compounds</kingdom>
  <superklass>Alkaloids and derivatives</superklass>
  <klass>Eburnan-type alkaloids</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0274101</sync-id>
  <structure-inchikey>RNHQTTKBVIUJPA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000900010000000000000000000000000000000000200000000000003000000000001100040000000000200000000000000000000000000000000008000000000000000080000000000000003000200000204020000000000000000210000000000000000400000000000020100000020000000000000100800000048800002800000000000000000200000000100000000080000000800040000000200100001060000080000000004000000000000008000000000080000000000040000000000000000000000000000000000000000200200000000000000000000000002000044000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`������� ������`������@(������@(�������`�������`������@(������@h�������@h�������@h�������@h�������@(������@(�������`�������`�������h��������(�������h��������������������������������	h�	
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����	���������������	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:27:49Z</structure-indexed-at>
</compound>
