361555 <common-name>(2s,3r)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoic acid</common-name> <description>(2s,3r)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoic acid is a compound with the formula C7H12ClN3O5. It has an average molecular weight of 253.64 g/mol.</description> <cas>80687-08-7</cas> <pubchem-id>129316179</pubchem-id> <chemical-formula>C7H12ClN3O5</chemical-formula> <weight>253.64</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">2026-09-01T10:29:58Z</created-at> <updated-at type="dateTime">2026-09-01T10:29:58Z</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>CC(C(C(=O)O)NC(=O)N(CCCl)N=O)O</moldb-smiles> <moldb-formula>C7H12ClN3O5</moldb-formula> <moldb-inchi>InChI=1S/C7H12ClN3O5/c1-4(12)5(6(13)14)9-7(15)11(10-16)3-2-8/h4-5,12H,2-3H2,1H3,(H,9,15)(H,13,14)/t4-,5+/m1/s1</moldb-inchi> <moldb-inchikey>UFEWHGLVHGVTFY-UHNVWZDZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">253.0465482</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.5</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>CHEM357448</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>(2s,3r)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoic 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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0311670</sync-id> <structure-inchikey>UFEWHGLVHGVTFY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000004000000000000800000000400000000000000000040000000100000000000001000000000000000000000000004000000000000000000004000000000000000000000000000000000000800000020000000000000000004000000000000000000010100100000000000004000000000000000000000001000000000000800000040000000000014020000000080000000040000000000000000000000000000000000000100000000000000000000400000008000000000000000000000000000000000000000000000000000000010040000000000000000000000000000000000000800400000000000000400000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAADwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAMBBgAoAAAAAwQIACgAAAADAggAaAAAAAMBAQcAaAAAAAMCAQYA KAAAAAMECAAoAAAAAwIHACgAAAADAwYAYAAAAAICBgBgAAAAAgIRACAAAAAB BwAoAAAAAwMIACgAAAADAggAYAAAAAEBCwABAAECAAIDAAMEKAIDBSACBgAG ByAHCCgCBwkgCQoACgsACwwACQ0gDQ4oAgEPAEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:51Z</structure-indexed-at> </compound>