96994 <common-name>[[Methyl[(methylamino)carbonyl]amino]methylene]bisphosphonic acid</common-name> <description>[[Methyl[(methylamino)carbonyl]amino]methylene]bisphosphonic acid belongs to the bisphosphonates, a subclass of organic phosphonic acids and derivatives within the organic compounds. This compound has the formula C4H12N2O7P2 and an average molecular weight of 262.10 g/mol. It is classified as an organic acid and derivative.</description> <cas>74651-51-7</cas> <pubchem-id>44149122</pubchem-id> <chemical-formula>C4H12N2O7P2</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">2026-04-05T04:57:35Z</created-at> <updated-at type="dateTime">2026-04-05T04:57:35Z</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>CNC(=O)N(C)C(P(O)(O)=O)P(O)(O)=O</moldb-smiles> <moldb-formula>C4H12N2O7P2</moldb-formula> <moldb-inchi>InChI=1/C4H12N2O7P2/c1-5-3(7)6(2)4(14(8,9)10)15(11,12)13/h4H,1-2H3,(H,5,7)(H2,8,9,10)(H2,11,12,13)</moldb-inchi> <moldb-inchikey>HUHUIXFOXUATES-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">262.095</moldb-average-mass> <moldb-mono-mass type="decimal">262.011974</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>CHEM092887</chemdb-id> <dsstox-id>DTXSID50225640</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059227</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>Organic phosphonic acids and derivatives</klass> <subklass>Bisphosphonates</subklass> <paper-count type="integer">16</paper-count> <sync-id>CED0031762</sync-id> <structure-inchikey>HUHUIXFOXUATES-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000100000000000000000000000000000000c0000000000000000000000000000000000000400000000000000000000000000000000002000000800000000000000000000000000000000020000000000000000000000000000000000000010000000000000100004000000000000000000000000000000000000000000040000000000400000000000080100000000000000000000000000000000000002000000000000000000000000000020000000000000000000020000000000000000000000000000400000000000000000000000000000000000000000000000000020000000010000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADgAAAIABBgBgAAAAAQMHAGgAAAAD AgEGACgAAAADBAgAKAAAAAMCBwAoAAAAAwMGAGAAAAABAwYAYAAAAAMBDwAg AAAABQgAYAAAAAEBCABgAAAAAQEIACgAAAADAg8AIAAAAAUIAGAAAAABAQgA YAAAAAEBCAAoAAAAAwILAAEAAQIgAgMoAgIEIAQFAAQGAAYHAAcIAAcJAAcK CAIGCwALDAALDQALDggCQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:21Z</structure-indexed-at> </compound>