101357 <common-name>Calcium bis[4-[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]</common-name> <description>Calcium bis[4-[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate] belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 878.85 g/mol, Calcium bis[4-[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate] is a heavy molecule. Its chemical formula is C17H17N4O7S.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C17H17N4O7S</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">2026-04-05T08:34:30Z</created-at> <updated-at type="dateTime">2026-04-05T08:34:30Z</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>[Ca++].CC(=O)C(N=NC1=C(C=C(C=C1)S(O)(=O)=O)N(=O)=O)C(=O)NC1=CC=C(C)C=C1.CC(=O)C(N=NC1=C(C=C(C=C1)S([O-])(=O)=O)N(=O)=O)C([O-])=NC1=CC=C(C)C=C1</moldb-smiles> <moldb-formula>C17H17N4O7S</moldb-formula> <moldb-inchi>InChI=1/2C17H16N4O7S.Ca/c2*1-10-3-5-12(6-4-10)18-17(23)16(11(2)22)20-19-14-8-7-13(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2</moldb-inchi> <moldb-inchikey>KAPVBSSUEGFASX-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">878.85</moldb-average-mass> <moldb-mono-mass type="decimal">421.0817949</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>CHEM097250</chemdb-id> <dsstox-id>DTXSID801006297</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00064581</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0183674</sync-id> <structure-inchikey>KAPVBSSUEGFASX-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>400020000000000008000000000000028260000001000001002000000010000000000000000000010000000220000000200010000000000000000000000000000000020000000004000080000000200000200000000000000018040000004000000000000100001002108000001000000000000010000000000000000000004000000000400004000000000000000000800000000010000000200000000000000000000c2000000000040000080000000004000000000000088000000000008000000000000000000004000100000000800000400200002000000200000000000000008100000002000040800000000480000000001400000000000000000000</structure-fingerprint> 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