342844 <common-name>(1r,9r,10r)-17-(3-anilinopropyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>6602233</pubchem-id> <chemical-formula>C25H32N2O</chemical-formula> <weight>376.5</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">2026-08-31T04:02:00Z</created-at> <updated-at type="dateTime">2026-08-31T04:02:00Z</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>C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CCCNC5=CC=CC=C5</moldb-smiles> <moldb-formula>C25H32N2O</moldb-formula> <moldb-inchi>InChI=1S/C25H32N2O/c28-21-11-10-19-17-24-22-9-4-5-12-25(22,23(19)18-21)13-16-27(24)15-6-14-26-20-7-2-1-3-8-20/h1-3,7-8,10-11,18,22,24,26,28H,4-6,9,12-17H2/t22-,24+,25+/m0/s1</moldb-inchi> <moldb-inchikey>XBNOMRVLAQTRLP-ICDZXHCJSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">376.2514636</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM338737</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>(1r,9r,10r)-17-(3-anilinopropyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-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>Alkaloids and derivatives</superklass> <klass>Morphinans</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0293229</sync-id> <structure-inchikey>XBNOMRVLAQTRLP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200008000000000000000000000001001000000000100000000000000000000000000000000000004040000000000000000000000000000000100000000002000080000000000000000000110000000010000000000c00000000000000100000000000000001200200000000201000000000000000000001008000000080000008000000800000040802000000001000000000800000000000000000c4004000000000002080000000080000000000000008000000000000000000000000800002000000002000000000000400040000010000202000000000000000000000000000040000000010000800000008008080000000002000000</structure-fingerprint> <structure-pattern-fingerprint>701642008d12825081585b648138b0201300140291052000003560628224484ccc22005013a000000140590a40c08240056043a5608d320120ae653b46a04110c7118c0c1280160040901540007622604804858151611f3342041d664022d1844c68052f1048a20440068484dd940049208680d28501c50471182e50a2710302104400094ef88608080603d0c92c0208391d8e5244041e8250a30ca060c0048008d3101031b3d90307020968817c37104ec00422a943084010a04a180cc00213a01000a444d0003303808622545102802c51e000224450008d4122822a010302913069508881403009408403d19aa0821c50023090c2052f0108104052800e02</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`�������`������� ������`�������`������� ������`�������`�������`�������`������@(������@(������@h�������@(������@h�������@h��������h��������`�������`�������`�������h�������@(������@h�������@h�������@h�������@h�������@h�������������������������������� �� � ����h�� h� �h���h���h��� �������������� ��h���h���h���h���h� ����������h���h�B������ ������������ ������ ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:42:21Z</structure-indexed-at> </compound>