335163 <common-name>9-bromo-2-(4-fluorophenyl)-5',5'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-cyclohexene]-1'-ol</common-name> <description>9-bromo-2-(4-fluorophenyl)-5',5'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-cyclohexene]-1'-ol is a chemical compound with the formula C23H22BrFN2O2. It has an average molecular weight of 457.30 g/mol.</description> <cas>303104-34-9</cas> <pubchem-id>4086822</pubchem-id> <chemical-formula>C23H22BrFN2O2</chemical-formula> <weight>457.3</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">2026-08-30T17:12:19Z</created-at> <updated-at type="dateTime">2026-08-30T17:12:19Z</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>CC1(CC(=CC2(C1)N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Br)O)C</moldb-smiles> <moldb-formula>C23H22BrFN2O2</moldb-formula> <moldb-inchi>InChI=1S/C23H22BrFN2O2/c1-22(2)11-17(28)12-23(13-22)27-20(18-9-15(24)5-8-21(18)29-23)10-19(26-27)14-3-6-16(25)7-4-14/h3-9,12,20,28H,10-11,13H2,1-2H3</moldb-inchi> <moldb-inchikey>PRHICMFHGQFLPI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">456.08487</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM331056</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>9-bromo-2-(4-fluorophenyl)-5',5'-dimethylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-cyclohexene]-1'-ol</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>Organoheterocyclic compounds</superklass> <klass>Benzoxazines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0285638</sync-id> <structure-inchikey>PRHICMFHGQFLPI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000002002000000020000000800000000000000000010000000000000000000000000000000000002000000000000000080000000000080000000000000000000000000000000000080800800000000018000000800100000200000000010000000000000000100000800400020108008000000001000000101110000048000000000000000000004004800002000000000000000000000020200000008000000008000000080000002014000000000000000100000000000000000000000000002000000100008000020000000000000000000200000000000000000000000000000040000040400000900000404000000000000000000000</structure-fingerprint> 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