139093 <common-name>Amotosalen</common-name> <description>Amotosalen belongs to the furanocoumarins, a subclass of coumarins and derivatives within the organic compounds. It is categorized under the superclass of phenylpropanoids and polyketides. This compound has the formula C17H19NO4 and an average molecular weight of 301.34 g/mol.</description> <cas>161262-29-9</cas> <pubchem-id>159599</pubchem-id> <chemical-formula>C17H19NO4</chemical-formula> <weight>301.34</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">2026-04-14T21:37:34Z</created-at> <updated-at type="dateTime">2026-08-19T20:27:02Z</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>DB17693</drugbank-id> <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=C(COCCN)C2=CC3=C(OC(=O)C=C3C)C(C)=C2O1</moldb-smiles> <moldb-formula>C17H19NO4</moldb-formula> <moldb-inchi>InChI=1S/C17H19NO4/c1-9-6-15(19)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-20-5-4-18/h6-7H,4-5,8,18H2,1-3H3</moldb-inchi> <moldb-inchikey>FERWCFYKULABCE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">301.342</moldb-average-mass> <moldb-mono-mass type="decimal">301.131408096</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.03</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>CHEM134986</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>3-[(2-aminoethoxy)methyl]-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one</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>Phenylpropanoids and polyketides</superklass> <klass>Coumarins and derivatives</klass> <subklass>Furanocoumarins</subklass> <paper-count type="integer">738</paper-count> <sync-id>CED0009628</sync-id> <structure-inchikey>FERWCFYKULABCE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000000000000000800000000000040000040010000000000000000000080000000000000020000000000080000000000000000000000000000000000000000088000000000000000000000000800020800000000100020000020040002000002000000000001000000000100000000000002000000000000400000000000000000041002000000000000000000000001000000000000000000000000000000000000000000000040000080100000000000000000000000000000000000000000080000000000800000000000000000000200000002000000000000000000000000010008000000040000000000000000000000000000080000000002000</structure-fingerprint> <structure-pattern-fingerprint>501642101512864480404b640128300000001402110520000037e04182a0084c64220010128000001944410800c0000004201024c08c321109a6643140a14100d7110c081290140110901040016a02000804058155013b3242140566402259040c2824270048220060008480d5b40000208680508101f0149118287002510012424408094ef882080806024088ac0008391c8a12c490148a00280c0020c0008580cb11000112c20202000968017c25100ac20012ab43884818a0423008c80212800000a4849100130180000015110ac025210000020452200d0022040a000b00b150641408810000084004017193a0c0885002749042000e1100180052000802</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEBgBgAAAAAgIIACAAAAACBgBgAAAAAgIGAGAAAAACAgcAYAAA AAECBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMECEAoAAAAAwIG QCgAAAADBAgAKAAAAAMCBkBoAAAAAwMBBkAoAAAAAwQGAGAAAAABAwZAKAAA AAMEBgBgAAAAAQMGQCgAAAADBAhAKAAAAAMCCwABAAECaAwCAwADBAAEBQAF BgAGBwACCGgMCAloDAkKaAwKC2gMCwxoDAwNaAwNDigCDQ9oDA8QaAwQEQAL EmgMEhMAEhRoDBQVaAwVAWgMFAhoDBAKaAxCAwAAAAUBAggUFQYJCgsSFAgG DA0PEAoLFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:50:54Z</structure-indexed-at> </compound>