<common-name>Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium</common-name> <description>Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium has the chemical formula C52H76N12O6+2. With an average molecular weight of 965.20 g/mol, Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>170441</pubchem-id> <chemical-formula>C52H76N12O6+2</chemical-formula> <weight>965.2</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">2026-09-01T06:59:47Z</created-at> <updated-at type="dateTime">2026-09-01T06:59:47Z</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=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C[N+](C)(CCCN)CCCN)OC)C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C[N+](C)(CCCN)CCCN)OC</moldb-smiles> <moldb-formula>C52H76N12O6+2</moldb-formula> <moldb-inchi>InChI=1S/C52H74N12O6/c1-35-29-41(15-17-43(35)57-51(67)49(37(3)65)61-59-45-31-39(13-19-47(45)69-7)33-63(5,25-9-21-53)26-10-22-54)42-16-18-44(36(2)30-42)58-52(68)50(38(4)66)62-60-46-32-40(14-20-48(46)70-8)34-64(6,27-11-23-55)28-12-24-56/h13-20,29-32,49-50H,9-12,21-28,33-34,53-56H2,1-8H3/p+2</moldb-inchi> <moldb-inchikey>MNZKBHGNBGLODR-UHFFFAOYSA-P</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">964.6010782</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM354989</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>Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0309312</sync-id> <structure-inchikey>MNZKBHGNBGLODR-UHFFFAOYSA-P</structure-inchikey> <structure-fingerprint>40002000000000100000800200000000024000000008000000000000000000400000000000000200000000000000000020001002000000000000000200000000000000000000040400000000000008000020000000000100000004000000000000004000010000080140800000100000800040001000000002000400000000400000000040000000000000000000000090801000000000000080000000000000000040002000000000000000080100000000000020000000000000000004800080000000000000000000000100000000000000000200002000000220004000000000008000008000840040800000010400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��F��I��€��`��@(��@(��@h��@h��@(��@h��@(��@h��@(��@(��@h��@h��h��(��(��`��(��(��`��(��(��@(��@(��@h��@h��@(��@h��`�� "��`��`��`��`��`��`��`��`��`��(��`��`��h��(��(��`��(��(��`��(��(��@(��@(��@h��@h��@(��@h��`�� "��`��`��`��`��`��`��`��`��`��(��`��h��h��h��h��h�� h�� h� h� �h��h� � ��(��(�� h��h��h��h��h�� !�!"��#�#$�$%�%&��' '(� )��* *+ +,(�+-�-.�./��.0�-1�12(�23 34h�45h�56h�67h�78h�79�9:�:;�:<�<=�=>�>?�:@�@A�AB�BC�4D DE��h��h��h�83h�B�� 456783��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:40Z</structure-indexed-at> </compound>

359096 <common-name>Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium</common-name> <description>Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium has the chemical formula C52H76N12O6+2. With an average molecular weight of 965.20 g/mol, Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>170441</pubchem-id> <chemical-formula>C52H76N12O6+2</chemical-formula> <weight>965.2</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">2026-09-01T06:59:47Z</created-at> <updated-at type="dateTime">2026-09-01T06:59:47Z</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=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C[N+](C)(CCCN)CCCN)OC)C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C[N+](C)(CCCN)CCCN)OC</moldb-smiles> <moldb-formula>C52H76N12O6+2</moldb-formula> <moldb-inchi>InChI=1S/C52H74N12O6/c1-35-29-41(15-17-43(35)57-51(67)49(37(3)65)61-59-45-31-39(13-19-47(45)69-7)33-63(5,25-9-21-53)26-10-22-54)42-16-18-44(36(2)30-42)58-52(68)50(38(4)66)62-60-46-32-40(14-20-48(46)70-8)34-64(6,27-11-23-55)28-12-24-56/h13-20,29-32,49-50H,9-12,21-28,33-34,53-56H2,1-8H3/p+2</moldb-inchi> <moldb-inchikey>MNZKBHGNBGLODR-UHFFFAOYSA-P</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">964.6010782</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM354989</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>Bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0309312</sync-id> <structure-inchikey>MNZKBHGNBGLODR-UHFFFAOYSA-P</structure-inchikey> <structure-fingerprint>40002000000000100000800200000000024000000008000000000000000000400000000000000200000000000000000020001002000000000000000200000000000000000000040400000000000008000020000000000100000004000000000000004000010000080140800000100000800040001000000002000400000000400000000040000000000000000000000090801000000000000080000000000000000040002000000000000000080100000000000020000000000000000004800080000000000000000000000100000000000000000200002000000220004000000000008000008000840040800000010400000000000020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��F��I��€��`��@(��@(��@h��@h��@(��@h��@(��@h��@(��@(��@h��@h��h��(��(��`��(��(��`��(��(��@(��@(��@h��@h��@(��@h��`�� "��`��`��`��`��`��`��`��`��`��(��`��`��h��(��(��`��(��(��`��(��(��@(��@(��@h��@h��@(��@h��`�� "��`��`��`��`��`��`��`��`��`��(��`��h��h��h��h��h�� h�� h� h� �h��h� � ��(��(�� h��h��h��h��h�� !�!"��#�#$�$%�%&��' '(� )��* *+ +,(�+-�-.�./��.0�-1�12(�23 34h�45h�56h�67h�78h�79�9:�:;�:<�<=�=>�>?�:@�@A�AB�BC�4D DE��h��h��h�83h�B�� 456783��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:40Z</structure-indexed-at> </compound>