| Revision as of 12:50, 16 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 460937629 of page Carbophenothion for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI'). |
Revision as of 12:52, 16 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460916781 of page Warfarin for the Chem/Drugbox validation project (updated: 'DrugBank', '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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{{drugbox | Verifiedfields = changed |
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{{Chembox |
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| verifiedrevid = 413746125 |
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| Verifiedfields = changed |
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| IUPAC_name = (''RS'')-4-hydroxy- 3-(3- oxo- 1-phenylbutyl)- 2''H''- chromen- 2-one |
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| verifiedrevid = 460936349 |
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| image = Warfarin.svg |
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| Name = Carbophenothion |
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| image2 = Warfarin-from-xtal-3D-balls.png |
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| ImageFile =Carbophenothion.svg |
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| ImageSize = |
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<!--Clinical data--> |
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| IUPACName = ''S''-4-chlorophenylthiomethyl O,O-diethyl phosphorodithioate<ref name="sitem">{{cite web|url=http://sitem.herts.ac.uk/aeru/footprint/en/Reports/120.htm|title=Chemical report|publisher=University of Hertfordshire|location=UK|accessdate=October 28, 2011}}</ref> |
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| tradename = Coumadin |
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| SystematicName = ''S''-<nowiki>methyl] O,O-diethyl phosphorodithioate</nowiki><ref name="sitem"/> |
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| Drugs.com = {{drugs.com|monograph|coumadin}} |
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| OtherNames =Stauffer R 1303 |
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| MedlinePlus = a682277 |
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| Section1 = {{Chembox Identifiers |
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| pregnancy_AU = D |
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| Abbreviations = |
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| pregnancy_US = X |
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| CASNo = 786-19-6 |
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| legal_AU = S4 |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| EINECS = 212-324-1 |
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| legal_UK = POM |
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| legal_US = Rx-only |
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| EINECSCASNO = |
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| routes_of_administration = Oral or ] |
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| ChEMBL_Ref = {{ebicite|changed|EBI}} |
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| ChEMBL = <!-- blanked - oldvalue: 452866 --> |
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<!--Pharmacokinetic data--> |
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| bioavailability = 100% |
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| protein_bound = 99.5% |
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| metabolism = Hepatic: ], ], 2C8, 2C18, ] and ] |
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| elimination_half-life = 40 hours |
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| excretion = ] (92%) |
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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 = 81-81-2 |
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| ATC_prefix = B01 |
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| ATC_suffix = AA03 |
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| PubChem = 6691 |
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| DrugBank_Ref = {{drugbankcite|changed|drugbank}} |
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| DrugBank = <!-- blanked - oldvalue: DB00682 --> |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 10442445 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = 5Q7ZVV76EI |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = D08682 |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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| ChEBI = 10033 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| ChEMBL = <!-- blanked - oldvalue: 1464 --> |
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| C=19 | H=16 | O=4 |
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| molecular_weight = 308.33 g/mol |
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| smiles = CC(=O)CC(C\1=C(/O)c2ccccc2OC/1=O)c3ccccc3 |
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| InChI = 1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChI = 1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3 |
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| StdInChI = 1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = VEDTXTNSFWUXGQ-UHFFFAOYSA-N |
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| StdInChIKey = PJVWKTKQMONHTI-UHFFFAOYSA-N |
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| PubChem = 13081 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 12536 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = 998NGA2Q61 |
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| SMILES = Clc1ccc(SCSP(=S)(OCC)OCC)cc1 |
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| InChI = 1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3 |
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| RTECS = |
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| MeSHName = |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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| ChEBI = <!-- blanked - oldvalue: 554299 --> |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = |
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| ATCCode_prefix = |
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| ATCCode_suffix = |
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| ATC_Supplemental = |
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}} |
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| Section2 = {{Chembox Properties |
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| C=11|H=16|Cl=1|O=2|P=1|S=3 |
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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 = Insoluble |
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| SolubleOther = |
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| Solvent = |
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| LogP = |
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| VaporPressure = |
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| HenryConstant = |
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| AtmosphericOHRateConstant = |
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| pKa = |
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| pKb = |
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}} |
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| Section7 = {{Chembox Hazards |
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| GHSPictograms = {{GHS02}} {{GHS06}} {{GHS environment}} |
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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 = {{R11}} {{R24/25}} {{R38}} {{R50/53}} {{R65}} {{R67}}<ref name="chemicalbook">{{cite web|url=http://www.chemicalbook.com/ProductChemicalPropertiesCB3252912_EN.htm|title=Chemicalbook product entry|accessdate=June 24, 2011}}</ref> |
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| SPhrases = {{S28}} {{S36/37}} {{S45}} {{S60}} {{S61}} {{S62}}<ref name="chemicalbook" /> |
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| RSPhrases = |
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| FlashPt = {{convert|-18|C|F}} |
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| Autoignition = |
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| ExploLimits = |
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| PEL = |
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}} |
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| Section8 = {{Chembox Related |
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| OtherAnions = |
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| OtherCations = |
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| OtherFunctn = |
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| Function = |
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| OtherCpds = |
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}} |
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}} |
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}} |
