43693 <common-name>amino-valsartan</common-name> <description>amino-valsartan belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C14H13N5 and an average molecular weight of 251.29 g/mol.</description> <cas>147225-68-1</cas> <pubchem-id>15296916</pubchem-id> <chemical-formula>C14H13N5</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">2016-06-03T09:59:42Z</created-at> <updated-at type="dateTime">2026-03-26T22:55:35Z</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>NCC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1</moldb-smiles> <moldb-formula>C14H13N5</moldb-formula> <moldb-inchi>InChI=1S/C14H13N5/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14/h1-8H,9,15H2,(H,16,17,18,19)</moldb-inchi> <moldb-inchikey>QSRSXEHFQCQDRK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">251.293</moldb-average-mass> <moldb-mono-mass type="decimal">251.117095439</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>CHEM042588</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Fenner, GWA, 2011</stoff-ident-origin> <stoff-ident-id>SI00000628</stoff-ident-id> <susdat-id>NS00004909</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>80.48</moldb-polar-surface-area> <moldb-refractivity>87.02980000000001</moldb-refractivity> <moldb-polarizability>26.58945007923663</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>8.252799049383956</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.300858233516959</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.94</moldb-alogps-logp> <moldb-alogps-logs>-3.16</moldb-alogps-logs> <moldb-alogps-solubility>1.73e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0153570</sync-id> <structure-inchikey>QSRSXEHFQCQDRK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000002000000000000000000000200000000008000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000c00000000000000000000480000000000001000000000200800080200000000000881000000100000000000000000000400000000000000000000000084000000000000000000000200000000000000000000000000040000000000000000000000000000000000000000a20000000000000000000000000000140000044000000000020000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(������@(������@(������@8�������@(������@(��������������h���h���h���h���h��� � h� h� �h���h�� h� � ��h���h���h���h���h� �h���h�B������������ �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:29Z</structure-indexed-at> </compound>