95574 <common-name>1-[(1-Ethyl-2-pyrrolidinyl)methyl]-5-(4-methoxyphenyl)biguanide</common-name> <description>1-[(1-Ethyl-2-pyrrolidinyl)methyl]-5-(4-methoxyphenyl)biguanide belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C16H26N6O and an average molecular weight of 318.43 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H26N6O</chemical-formula> <weight nil="true"/> <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">2026-04-05T03:27:46Z</created-at> <updated-at type="dateTime">2026-04-05T03:27:46Z</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>CCN1CCCC1CNC(=N)NC(=N)NC1=CC=C(OC)C=C1</moldb-smiles> <moldb-formula>C16H26N6O</moldb-formula> <moldb-inchi>InChI=1/C16H26N6O/c1-3-22-10-4-5-13(22)11-19-15(17)21-16(18)20-12-6-8-14(23-2)9-7-12/h6-9,13H,3-5,10-11H2,1-2H3,(H5,17,18,19,20,21)</moldb-inchi> <moldb-inchikey>USFOURJIXLSLPJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">318.425</moldb-average-mass> <moldb-mono-mass type="decimal">318.2168095</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM091467</chemdb-id> <dsstox-id>DTXSID20962136</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057561</susdat-id> <iupac nil="true"/> <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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Aniline and substituted anilines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0112109</sync-id> <structure-inchikey>USFOURJIXLSLPJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000800001000000000000000000000104000000000000000008000002000000200000000000000000020000000000020000000000000000000000000000000400000000000100000000000000000100000200000000000000040000010000010050000000000000000000020100000000000000000000100800000040000400000080010000000080000000000000000000000000000000000000000004000000000100080080000000000000000000008000000000000080008000000000000800000000000000000000200800200000000200000000000000008000000000000040000000000000000000000000000140000022000000</structure-fingerprint> <structure-pattern-fingerprint>500000000932020080000100010820000000040200052000003400400200000c40060050008000000000410800800000042000a5008c30010000643000a04000c6110400029006004090100000620200000405805001103240000422000201000c200406004082002000000055140001200080500901c0045138002002310002004000080ee0800808020240082c0008111c0812440014020000080000400084005310001010c00000000840017c25100ac00000894108601801020008400a900010008404400012018002000441028000000000020058200d0000040801020000000812000800000040008200122000101000308242002e0008000050030402</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC AgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAADAQYAYAAA AAICBwBoAAAAAwIBBgAoAAAAAwQHAGgAAAADAgEHAGgAAAADAgEGACgAAAAD BAcAaAAAAAMCAQcAaAAAAAMCAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQIACgAAAADAgYAYAAAAAEDBkBoAAAAAwMBBkBoAAAAAwMBCwAB AAECAAIDAAMEAAQFAAUGAAYHAAcIAAgJIAkKKAIJCyALDCAMDSgCDA4gDg8g DxBoDBARaAwREmgMEhMgExQAEhVoDBUWaAwGAgAWD2gMQgIAAAAFAgMEBQYG EBESFRYPFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:29Z</structure-indexed-at> </compound>