348777 <common-name>Trimethyl-[(13s,17s)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium</common-name> <description>Trimethyl-[(13s,17s)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium is a compound with the formula C28H46N2O+2. It has an average molecular weight of 426.70 g/mol.</description> <cas nil="true"/> <pubchem-id>3072459</pubchem-id> <chemical-formula>C28H46N2O+2</chemical-formula> <weight>426.7</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">2026-08-31T12:56:23Z</created-at> <updated-at type="dateTime">2026-08-31T12:56:23Z</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>CC12CCC3C(C1CCC2[N+](C)(C)C)CCC4=C3C=CC(=C4)OCC[N+]5(CCCC5)C</moldb-smiles> <moldb-formula>C28H46N2O+2</moldb-formula> <moldb-inchi>InChI=1S/C28H46N2O/c1-28-15-14-24-23-11-9-22(31-19-18-30(5)16-6-7-17-30)20-21(23)8-10-25(24)26(28)12-13-27(28)29(2,3)4/h9,11,20,24-27H,6-8,10,12-19H2,1-5H3/q+2/t24?,25?,26?,27-,28-/m0/s1</moldb-inchi> <moldb-inchikey>OJSWFMCSICEOOK-XDZYFCLLSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">426.3610141</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM344670</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>Trimethyl-[(13s,17s)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium</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>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Azasteroids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0299105</sync-id> <structure-inchikey>OJSWFMCSICEOOK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000008080004000000000000000000000000000000000000000000000000000002000000000000000000000820020000001000001000000000100000000002000000000000002080000000000000001000042000000000200000000000000010000000000001000000000000210000000800000000000001018210040480040000000000000000200002000000000800000000800000000200000000040040000000000000800000001200008000800000c0000040000000000000000000000010000000200000008000000000000800000204200000000000000000000008000000040000000000000000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������#���€���`������� ������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`������@(������@(������@h�������@h�������@(������@h��������(�������`�������`������ "�������`�������`�������`�������`�������`������������������������������� � � �� �� ������������h���h���h���h���h��� ��������������������������� �������h����B��������������� �������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:02Z</structure-indexed-at> </compound>