292095 <common-name>2-(dimethylamino)ethyl 7-chloro-4-methyl-5-oxo-1h-1,2,4-benzotriazepine-3-carboxylate</common-name> <description>2-(dimethylamino)ethyl 7-chloro-4-methyl-5-oxo-1h-1,2,4-benzotriazepine-3-carboxylate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C14H17ClN4O3 and an average molecular weight of 324.76 g/mol.</description> <cas>63931-83-9</cas> <pubchem-id>3048704</pubchem-id> <chemical-formula>C14H17ClN4O3</chemical-formula> <weight>324.76</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">2026-08-28T07:22:24Z</created-at> <updated-at type="dateTime">2026-08-28T07:22:24Z</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>CN1C(=O)C2=C(C=CC(=C2)Cl)NN=C1C(=O)OCCN(C)C</moldb-smiles> <moldb-formula>C14H17ClN4O3</moldb-formula> <moldb-inchi>InChI=1S/C14H17ClN4O3/c1-18(2)6-7-22-14(21)12-17-16-11-5-4-9(15)8-10(11)13(20)19(12)3/h4-5,8,16H,6-7H2,1-3H3</moldb-inchi> <moldb-inchikey>DWJNGHPUBFPVKP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">324.0989181</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM287988</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>2-(dimethylamino)ethyl 7-chloro-4-methyl-5-oxo-1h-1,2,4-benzotriazepine-3-carboxylate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0243660</sync-id> <structure-inchikey>DWJNGHPUBFPVKP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000020800004000000000050000400000000000080000000000000000000000020000000008000002000000000000000000000000000000000000000000000400000000000000000000028004000000500000000000000000000000000010080000010000000134000010000000100000000000010000000000000000040000000000000200000004000100000000000000000100000000000000020000000000000000000080000000000000000000000000010000008000000000000000000800000000000000000080010000000000000000200000000000200000008000000000040000001000400000001000000020000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(������@(������@(������@h�������@h�������@(������@h�������� ������h��������(�������(�������(�������(�������(�������`�������`������� ������`�������`����������� ��(��� ��h���h���h���h�� h�� ��� �� � (� � ��(��� ��������������� � �h�B����������� ���� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:20Z</structure-indexed-at> </compound>