<common-name>5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid</common-name> <description>5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid has the chemical formula C43H38ClN9O13PS3+. With an average molecular weight of 1,051 g/mol, 5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>172380</pubchem-id> <chemical-formula>C43H38ClN9O13PS3+</chemical-formula> <weight>1051.4</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">2026-09-01T01:28:16Z</created-at> 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<moldb-inchi>InChI=1S/C43H37ClN9O13PS3/c1-3-52(24-25-6-4-9-32(18-25)68(57,58)59)29-12-16-34-37(22-29)53(30-13-17-38(66-2)40(23-30)70(63,64)65)36-20-27(10-14-33(36)48-34)45-35-15-11-28(21-39(35)69(60,61)62)47-43-50-41(44)49-42(51-43)46-26-7-5-8-31(19-26)67(54,55)56/h4-23H,3,24H2,1-2H3,(H7,46,47,48,49,50,51,54,55,56,57,58,59,60,61,62,63,64,65)/p+1</moldb-inchi> <moldb-inchikey>FXCLUQXCPUCBCZ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1050.117736</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM352102</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>5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid</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>Organoheterocyclic compounds</superklass> <klass>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306459</sync-id> <structure-inchikey>FXCLUQXCPUCBCZ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>200000001400000008002010080000000000000000801800000000010004008010080020000010040010200000020008000000000000000010000021000100008000010024001000080000000200000200000000001010000000000000000040000000100100008500000001040000000000028000400c000000000000000000100004020010080c000040000002090000000800000000080000000000000000008000000004000000000080000000000000000000000088000004000008080000000000220000000000000000008000011000000000000000220000000001080000000020001800040000000020000800800000020000020000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��F��M��€��`��`��(��`��@(��@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��h��h��h��h��h��h��h��h�� h��h��h��h��h�� !h�!"h�"#h�#$h�$%h�$& &' '(h�()h�)*h�*+h�+,h�)-�-.��-/�-0�"1��2�23��24��25��6h�67h�78h�89h��: :;h�;<h�<=h�=>h�>?h�=@ @A�<B�BC��BD��BE� �h�9�h�7�h��h��h�% h�,'h�?:h�B�� 789��!"#$% �()*+,'�67��;<=>?:��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:54:02Z</structure-indexed-at> </compound>

356209 <common-name>5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid</common-name> <description>5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid has the chemical formula C43H38ClN9O13PS3+. With an average molecular weight of 1,051 g/mol, 5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>172380</pubchem-id> <chemical-formula>C43H38ClN9O13PS3+</chemical-formula> <weight>1051.4</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">2026-09-01T01:28:16Z</created-at> <updated-at type="dateTime">2026-09-01T01:28:16Z</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>CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC3=[N+](C4=C(C=CC(=C4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)P(=O)(O)O)Cl)S(=O)(=O)O)N=C3C=C2)C8=CC(=C(C=C8)OC)S(=O)(=O)O</moldb-smiles> <moldb-formula>C43H38ClN9O13PS3+</moldb-formula> <moldb-inchi>InChI=1S/C43H37ClN9O13PS3/c1-3-52(24-25-6-4-9-32(18-25)68(57,58)59)29-12-16-34-37(22-29)53(30-13-17-38(66-2)40(23-30)70(63,64)65)36-20-27(10-14-33(36)48-34)45-35-15-11-28(21-39(35)69(60,61)62)47-43-50-41(44)49-42(51-43)46-26-7-5-8-31(19-26)67(54,55)56/h4-23H,3,24H2,1-2H3,(H7,46,47,48,49,50,51,54,55,56,57,58,59,60,61,62,63,64,65)/p+1</moldb-inchi> <moldb-inchikey>FXCLUQXCPUCBCZ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1050.117736</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM352102</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>5-[[4-chloro-6-(3-phosphonoanilino)-1,3,5-triazin-2-yl]amino]-2-[[8-[ethyl-[(3-sulfophenyl)methyl]amino]-10-(4-methoxy-3-sulfophenyl)phenazin-10-ium-2-yl]amino]benzenesulfonic acid</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>Organoheterocyclic compounds</superklass> <klass>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306459</sync-id> <structure-inchikey>FXCLUQXCPUCBCZ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>200000001400000008002010080000000000000000801800000000010004008010080020000010040010200000020008000000000000000010000021000100008000010024001000080000000200000200000000001010000000000000000040000000100100008500000001040000000000028000400c000000000000000000100004020010080c000040000002090000000800000000080000000000000000008000000004000000000080000000000000000000000088000004000008080000000000220000000000000000008000011000000000000000220000000001080000000020001800040000000020000800800000020000020000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��F��M��€��`��`��(��`��@(��@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��h��h��h��h��h��h��h��h�� h��h��h��h��h�� !h�!"h�"#h�#$h�$%h�$& &' '(h�()h�)*h�*+h�+,h�)-�-.��-/�-0�"1��2�23��24��25��6h�67h�78h�89h��: :;h�;<h�<=h�=>h�>?h�=@ @A�<B�BC��BD��BE� �h�9�h�7�h��h��h�% h�,'h�?:h�B�� 789��!"#$% �()*+,'�67��;<=>?:��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:54:02Z</structure-indexed-at> </compound>