| Revision as of 11:50, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 458235157 of page Perfluorooctanesulfonamide for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Revision as of 11:51, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460568464 of page Pergolide for the Chem/Drugbox validation project (updated: 'DrugBank').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 = 417782254 |
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| verifiedrevid = 410251613 |
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| IUPAC_name = (8β)-8--6-propylergoline |
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| ImageFile = Perfluorooctanesulfonamide.png |
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| image = Pergolid Structural Formulae V.1.svg |
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| ImageSize = 200px |
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| width = 300px |
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| IUPACName = 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide |
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| OtherNames = Perfluoroctylsulfonamide, Perfluorooctane sulfonamide, Heptadecafluorooctanesulphonamide, Perfluorooctanesulfonic acid amide, Deethylsulfluramid, FC-99 |
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<!--Clinical data--> |
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| Section1 = {{Chembox Identifiers |
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| tradename = |
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| Abbreviations = FOSA, DESFA, PFOSA |
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| Drugs.com = {{drugs.com|monograph|pergolide-mesylate}} |
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| InChI1 = 1/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28) |
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| pregnancy_category = B |
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| InChIKey1 = RRRXPPIDPYTNJG-UHFFFAOYAM |
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| legal_status = '''Withdrawn''' <small>(])</small> |
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| routes_of_administration = Oral |
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<!--Pharmacokinetic data--> |
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| protein_bound = 90% |
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| metabolism = Extensively hepatic |
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| elimination_half-life = 27 hours |
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<!--Identifiers--> |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CAS_number_Ref = {{cascite|correct|??}} |
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| CAS_number = 66104-22-1 |
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| ATC_prefix = N04 |
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| ATC_suffix = BC02 |
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| PubChem = 47811 |
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| IUPHAR_ligand = 48 |
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}} |
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| DrugBank = DB01186 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 43503 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = 24MJ822NZ9 |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = D08339 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = 1087375 |
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| ChEMBL = 531 |
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<!--Chemical data--> |
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| C=19 | H=26 | N=2 | S=1 |
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| molecular_weight = 314.489 g/mol |
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| smiles = S(C)C2C3c4cccc1c4c(cn1)C3N(C2)CCC |
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| InChI = 1/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 |
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| InChIKey = YEHCICAEULNIGD-MZMPZRCHBJ |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28) |
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| StdInChI = 1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = RRRXPPIDPYTNJG-UHFFFAOYSA-N |
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| StdInChIKey = YEHCICAEULNIGD-MZMPZRCHSA-N |
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| synonyms = <small>(6a''R'',9''R'',10a''R'')-9-(methylthiomethyl)-7-propyl-4,6,6a,7,8,9,10,10a-octahydroindoloquinoline</small> |
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| CASNo_Ref = {{cascite|correct|??}} |
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| CASNo = <!-- blanked - oldvalue: 754-91-6 --> |
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| EINECS = 212-046-0 |
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| PubChem = 69785 |
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| SMILES = FC(F)(C(F)(F)S(=O)(=O)N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
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| InChI = 1/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28) |
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| RTECS = |
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| MeSHName = |
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| ChEBI_Ref = {{ebicite|correct|EBI}} |
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| ChEBI = |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 62984 |
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| ATCCode_prefix = |
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| ATCCode_suffix = |
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| ATC_Supplemental =}} |
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| Section2 = {{Chembox Properties |
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| Formula = C<sub>8</sub>H<sub>2</sub>F<sub>17</sub>NO<sub>2</sub>S |
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| MolarMass = 499.14 g/mol |
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| Appearance = |
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| Density = |
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| MeltingPt = |
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| Melting_notes = |
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| BoilingPt = |
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| Boiling_notes = |
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| Solubility = |
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| SolubleOther = |
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| Solvent = |
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| pKa = |
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| pKb = }} |
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| Section7 = {{Chembox Hazards |
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| ExternalMSDS = |
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| EUClass = |
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| EUIndex = |
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| MainHazards = |
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| NFPA-H = |
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| NFPA-F = |
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| NFPA-R = |
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| NFPA-O = |
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| RPhrases = |
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| SPhrases = |
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| RSPhrases = |
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| FlashPt = |
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| Autoignition = |
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| ExploLimits = |
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| PEL = }} |
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| Section8 = {{Chembox Related |
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| Function = compounds |
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| OtherFunctn = ] (PFOS), ] (PFBS), ] (PFOA), ] (PFNA) |
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}} |
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}} |
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}} |
