289528 <common-name>1-(2-chloroethyl)-3-[[(2r,3s,4r,6s)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-6-methoxyoxan-2-yl]methyl]-1-nitrosourea</common-name> <description>1-(2-chloroethyl)-3-[[(2r,3s,4r,6s)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-6-methoxyoxan-2-yl]methyl]-1-nitrosourea belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C13H22Cl2N6O7 and an average molecular weight of 445.30 g/mol.</description> <cas>98383-27-8</cas> <pubchem-id>3062543</pubchem-id> <chemical-formula>C13H22Cl2N6O7</chemical-formula> <weight>445.3</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">2026-08-28T03:02:11Z</created-at> <updated-at type="dateTime">2026-08-28T03:02:11Z</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>COC1CC(C(C(O1)CNC(=O)N(CCCl)N=O)O)NC(=O)N(CCCl)N=O</moldb-smiles> <moldb-formula>C13H22Cl2N6O7</moldb-formula> <moldb-inchi>InChI=1S/C13H22Cl2N6O7/c1-27-10-6-8(17-13(24)21(19-26)5-3-15)11(22)9(28-10)7-16-12(23)20(18-25)4-2-14/h8-11,22H,2-7H2,1H3,(H,16,23)(H,17,24)/t8-,9-,10+,11+/m1/s1</moldb-inchi> <moldb-inchikey>PQBFTBGFFUDOCM-ZNSHCXBVSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">444.0927025</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.1</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>CHEM285421</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)-3-[[(2r,3s,4r,6s)-4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-6-methoxyoxan-2-yl]methyl]-1-nitrosourea</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>CED0241214</sync-id> <structure-inchikey>PQBFTBGFFUDOCM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000044000000000000000000000000000000000000000000000010000000000000000000004000000000040000000000000010000000200000000020800000000101000004000000000000000000210100100040000000004000000000020040000000001000000000100800000040000000000004000000000080000000040000000000000100600000000800000000000000000000000000100000400000008000000100000400020000000000800000000800000000000000000012000000000000000000000100000800000200000000000000000000000440000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`������� ������`�������h��������(�������(�������(�������`�������`������� ������(�������(�������`�������h��������(�������(�������(�������`�������`������� ������(�������(������������������������������� � �(� � � � ������� ��(��������� ��(��� ����������� ��(����B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:02:24Z</structure-indexed-at> </compound>