46784 <common-name>dihydrostreptomycin</common-name> <description nil="true"/> <cas>128-46-1</cas> <pubchem-id>439369</pubchem-id> <chemical-formula>C21H41N7O12</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">2016-06-03T13:34:46Z</created-at> <updated-at type="dateTime">2026-05-14T19:10:12Z</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>DB11512</drugbank-id> <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>CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)OC(C)C1(O)CO</moldb-smiles> <moldb-formula>C21H41N7O12</moldb-formula> <moldb-inchi>InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)</moldb-inchi> <moldb-inchikey>ASXBYYWOLISCLQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">583.596</moldb-average-mass> <moldb-mono-mass type="decimal">583.281319788</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-7.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>388489</chemspider-id> <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>CHEM045679</chemdb-id> <dsstox-id>DTXSID0022937</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Arzneimittel (UBA)</stoff-ident-origin> <stoff-ident-id>SI00008733</stoff-ident-id> <susdat-id>NS00098769</susdat-id> <iupac>N-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine</iupac> <moldb-polar-surface-area>334.59000000000003</moldb-polar-surface-area> <moldb-refractivity>150.45360000000002</moldb-refractivity> <moldb-polarizability>55.95969263719499</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>19</moldb-acceptor-count> <moldb-donor-count>15</moldb-donor-count> <moldb-pka-strongest-acidic>12.106282431506385</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>11.30815817945147</moldb-pka-strongest-basic> <moldb-physiological-charge>3</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>-3.02</moldb-alogps-logp> <moldb-alogps-logs>-1.56</moldb-alogps-logs> <moldb-alogps-solubility>1.60e+01 g/l</moldb-alogps-solubility> </compound>