10370 <common-name>1-Propanaminium, 3-butoxy-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt</common-name> <description nil="true"/> <cas>108797-84-8</cas> <pubchem-id nil="true"/> <chemical-formula>C12H27NO6S</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">2016-05-19T03:01:30Z</created-at> <updated-at type="dateTime">2016-11-09T01:13:57Z</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>CCCCOCC(O)C[N+](C)(C)CC(O)C[S-](=O)(=O)=O</moldb-smiles> <moldb-formula>C12H27NO6S</moldb-formula> <moldb-inchi>InChI=1S/C12H27NO6S/c1-4-5-6-19-9-11(14)7-13(2,3)8-12(15)10-20(16,17)18/h11-12,14-15H,4-10H2,1-3H3</moldb-inchi> <moldb-inchikey>NMZCVTRJSNHYLV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">313.41</moldb-average-mass> <moldb-mono-mass type="decimal">313.155908767</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>CHEM009265</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>4,8-dihydroxy-6,6-dimethyl-2,2-dioxo-1,10-dioxa-2λ⁶-thia-6-azatetradec-1-en-6-ium-2-uide</iupac> </compound>