<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319486</id>
  <title nil="true"/>
  <common-name>1-[2-(diethylamino)ethoxy]-n,n,10-trimethylpyridazino[4,5-b][1,4]benzoxazine-7-sulfonamide</common-name>
  <description>1-[2-(diethylamino)ethoxy]-n,n,10-trimethylpyridazino[4,5-b][1,4]benzoxazine-7-sulfonamide is a chemical compound with the formula C19H27N5O4S. It has an average molecular weight of 421.50 g/mol.</description>
  <cas>102207-48-7</cas>
  <pubchem-id>12385455</pubchem-id>
  <chemical-formula>C19H27N5O4S</chemical-formula>
  <weight>421.5</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">2026-08-29T18:08:17Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:08:17Z</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>CCN(CC)CCOC1=C2C(=CN=N1)OC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C</moldb-smiles>
  <moldb-formula>C19H27N5O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C19H27N5O4S/c1-6-24(7-2)10-11-27-19-18-17(13-20-21-19)28-16-12-14(29(25,26)22(3)4)8-9-15(16)23(18)5/h8-9,12-13H,6-7,10-11H2,1-5H3</moldb-inchi>
  <moldb-inchikey>KUUBEVHKUSSCLQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">421.1783755</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM315379</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>1-[2-(diethylamino)ethoxy]-n,n,10-trimethylpyridazino[4,5-b][1,4]benzoxazine-7-sulfonamide</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270257</sync-id>
  <structure-inchikey>KUUBEVHKUSSCLQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000008000000020000000000000000000000004100000004002000001000000020200002000004000000000000200000000000000000000000000000000000000000800000020800000020100001000200000001000004000000100000000000000104000000000000900000000000010000004010000000040000000000000000000004000180000000800000000000000000000000100000000000000000200080000000000000001080000080000000000000100000000000000000000000200000000000000001000000000000200000001000000200000010000000040000000401008000001000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`�������`�������(������@(������@(������@(������@h�������@(������@(�������(������@(������@(�������(�������`������@h�������@h�������@(������@h�������� ������(�������(������� ������`�������`����������������������������� �	h�	
h�
�h���h��h�
� �� ��h��� �����h���h���h���h����������������������h��	 ��h�B��������
	�����	
�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:24:48Z</structure-indexed-at>
</compound>
