365434 <common-name>1-(2-chloroethyl)-1-nitroso-3-[(3s,4s,5r,6s)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea</common-name> <description>1-(2-chloroethyl)-1-nitroso-3-[(3s,4s,5r,6s)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea is a chemical compound with the formula C9H16ClN3O7. It has an average molecular weight of 313.69 g/mol.</description> <cas>102492-21-7</cas> <pubchem-id>24847493</pubchem-id> <chemical-formula>C9H16ClN3O7</chemical-formula> <weight>313.69</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">2026-09-01T16:00:52Z</created-at> <updated-at type="dateTime">2026-09-01T16:00:52Z</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>C(CCl)N(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O</moldb-smiles> <moldb-formula>C9H16ClN3O7</moldb-formula> <moldb-inchi>InChI=1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-5-7(16)6(15)4(3-14)20-8(5)17/h4-8,14-17H,1-3H2,(H,11,18)/t4-,5-,6-,7-,8?/m0/s1</moldb-inchi> <moldb-inchikey>MYBLAOJMRYYKMS-CGRSDTJUSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">313.0676776</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.7</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>CHEM361327</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>1-(2-chloroethyl)-1-nitroso-3-[(3s,4s,5r,6s)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315388</sync-id> <structure-inchikey>MYBLAOJMRYYKMS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000080000000000000040000002000000000000000000000000000000000000000010000000000080000000004000000000000000000000000080040000200000000020800000000000000004000000000000000000010100100000000000004000000000000000000000001000000000100800000000000000000004000000000080008000040000000000200000400000000000000000000000000000000000000000400000008000000100000008000000000000000000000002000000000000000012000000000000000000080000000000000000000800000000000000000440000001000000000000000000000010</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������(�������(�������(�������h��������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������(�������(����������������� ��(��� ������� � � ������ � ����� ������� ��(����B�������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:30Z</structure-indexed-at> </compound>