350348 <common-name>5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid</common-name> <description>5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid has the chemical formula C30H26ClN3O13S4. With an average molecular weight of 800.30 g/mol, 5-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid is a heavy molecule.</description> <cas>68156-18-3</cas> <pubchem-id>135597250</pubchem-id> <chemical-formula>C30H26ClN3O13S4</chemical-formula> <weight>800.3</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">2026-08-31T15:21:58Z</created-at> <updated-at type="dateTime">2026-08-31T15:21:58Z</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>C1C2CC(C1C=C2C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C6=CC=CC=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCCl</moldb-smiles> <moldb-formula>C30H26ClN3O13S4</moldb-formula> <moldb-inchi>InChI=1S/C30H26ClN3O13S4/c31-7-8-48(37,38)24-12-16-9-17(24)11-21(16)30(36)32-23-14-19(49(39,40)41)10-18-13-25(50(42,43)44)27(28(35)26(18)23)34-33-22-6-5-15-3-1-2-4-20(15)29(22)51(45,46)47/h1-6,10-11,13-14,16-17,24,35H,7-9,12H2,(H,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47)</moldb-inchi> <moldb-inchikey>NIGNDNPGMMFNQP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">799.0037003</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM346241</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-[[5-(2-chloroethylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carbonyl]amino]-4-hydroxy-3-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic 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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300655</sync-id> <structure-inchikey>NIGNDNPGMMFNQP-UHFFFAOYSA-N</structure-inchikey> 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