| Revision as of 11:30, 20 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 476798046 of page Usnic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit |
Revision as of 11:31, 20 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 452285297 of page VU-0238429 for the Chem/Drugbox validation project (updated: 'ChEMBL').Next edit → |
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} |
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{{chembox |
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{{drugbox |
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| verifiedrevid = 446400478 |
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| Watchedfields = changed |
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| IUPAC_name = 1-(4-methoxybenzyl)-5-(trifluoromethoxy)indole-2,3-dione |
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| verifiedrevid = 452888826 |
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| image = VU0238429_structure.png |
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| Name = Usnic acid |
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| CAS_number = |
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| ImageFile = Usnic acid.svg |
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| ATC_prefix = |
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<!-- | ImageSize = 200px --> |
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| ATC_suffix = |
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| ImageName = Chemical structure of usnic acid |
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| ATC_supplemental = |
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| IUPACName = 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bh)<br />-dibenzofurandione |
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| ChEMBL = 466253 |
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| OtherNames = usneine, usninic acid, usniacin |
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| PubChem = 42633508 |
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| Section1 = {{Chembox Identifiers |
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| CASNo_Ref = {{cascite|correct|??}} |
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| CASNo = 125-46-2<ref name="AshAsh2004">{{cite book |
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|author1=Michael Ash |
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|author2=Irene Ash |
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|title=Handbook of preservatives |
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|url=http://books.google.com/books?id=XZ2QB7bu5LwC&pg=PA670 |
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|accessdate=5 August 2010 |
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|year=2004 |
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|publisher=Synapse Info Resources |
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|isbn=9781890595661 |
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|page=5856}}</ref> |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = <!-- blanked - oldvalue: 242022 --> |
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| SMILES = CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O |
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| PubChem = 5646 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 5444 |
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| ChemSpiderID = 24606034 |
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| smiles = COc1ccc(cc1)CN2c3ccc(cc3C(=O)C2=O)OC(F)(F)F |
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| InChI = 1/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3 |
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| InChI = 1/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3 |
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| InChIKey = CUCUKLJLRRAKFN-UHFFFAOYAS |
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| InChIKey = CKLGZXFOLMHCMC-UHFFFAOYAN |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3 |
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| StdInChI = 1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = CUCUKLJLRRAKFN-UHFFFAOYSA-N |
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| StdInChIKey = CKLGZXFOLMHCMC-UHFFFAOYSA-N |
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| C=17 | H=12 | F=3 | N=1 | O=4 |
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}} |
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| molecular_weight = 351.276 g/mol |
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| Section2 = {{Chembox Properties |
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| smiles = c2cc(OC)ccc2CN(C(=O)C1=O)c3ccc(cc13)OC(F)(F)F |
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| Formula = C<sub>18</sub>H<sub>16</sub>O<sub>7</sub> |
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| bioavailability = |
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| MolarMass = 344.315 g/mol |
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| protein_bound = |
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| Density = |
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| metabolism = |
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| MeltingPt = 204 °C |
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| elimination_half-life = |
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| BoilingPt = |
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| pregnancy_category = |
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}} |
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| legal_status = |
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| routes_of_administration = |
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}} |
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}} |
