Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively ← Previous edit Next edit →Content deleted Content addedVisual WikitextInline

Revision as of 12:52, 16 November 2011 editBeetstra (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').← Previous edit		Revision as of 14:03, 16 November 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 460940101 of page Carbophenothion for the Chem/Drugbox validation project (updated: 'ChEBI').Next edit →
Line 1:		Line 1:
	{{ambox \| text = This page contains a copy of the infobox ({{tl\|~~drugbox~~}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
			{{Chembox
	{{drugbox \| Verifiedfields = changed
			\| Verifiedfields = changed
	\| verifiedrevid = 413746125
			\| verifiedrevid = 460939012
	\| IUPAC_name = (''RS'')-4-hydroxy- 3-(3- oxo- 1-phenylbutyl)- 2''H''- chromen- 2-one
			\| Name = Carbophenothion
	\| image = Warfarin.svg
			\| ImageFile =Carbophenothion.svg
	\| image2 = Warfarin-from-xtal-3D-balls.png
			\| ImageSize =

			\| 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>
	<!--Clinical data-->
			\| SystematicName = ''S''-<nowiki>methyl] O,O-diethyl phosphorodithioate</nowiki><ref name="sitem"/>
	\| tradename = Coumadin
			\| OtherNames =Stauffer R 1303
	\| Drugs.com = {{drugs.com\|monograph\|coumadin}}
			\| Section1 = {{Chembox Identifiers
	\| MedlinePlus = a682277
			\| Abbreviations =
	\| pregnancy_AU = D
			\| CASNo = 786-19-6
	\| pregnancy_US = X
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| legal_AU = S4
	\| ~~legal_UK~~ = ~~POM~~		\| EINECS = 212-324-1
			\| EINECSCASNO =
	\| legal_US = Rx-only
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
	\| routes_of_administration = Oral or ]
			\| ChEMBL = 452866

	<!--Pharmacokinetic data-->
	\| bioavailability = 100%
	\| protein_bound = 99.5%
	\| metabolism = Hepatic: ], ], 2C8, 2C18, ] and ]
	\| elimination_half-life = 40 hours
	\| excretion = ] (92%)

	<!--Identifiers-->
	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| CAS_number = 81-81-2
	\| ATC_prefix = B01
	\| ATC_suffix = AA03
	\| PubChem = 6691
	\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| DrugBank = <!-- blanked - oldvalue: DB00682 -->
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 10442445
	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = 5Q7ZVV76EI
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = D08682
	\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
	\| ChEBI = 10033
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = <!-- blanked - oldvalue: 1464 -->
	\| C=19 \| H=16 \| O=4
	\| molecular_weight = 308.33 g/mol
	\| smiles = CC(=O)CC(C\1=C(/O)c2ccccc2OC/1=O)c3ccccc3
	\| 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
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| 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~~		\| 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
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~PJVWKTKQMONHTI~~-UHFFFAOYSA-N		\| StdInChIKey = VEDTXTNSFWUXGQ-UHFFFAOYSA-N
			\| PubChem = 13081
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| ChemSpiderID = 12536
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 998NGA2Q61
			\| SMILES = Clc1ccc(SCSP(=S)(OCC)OCC)cc1
			\| 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
			\| RTECS =
			\| MeSHName =
			\| ChEBI_Ref = {{ebicite\|changed\|EBI}}
			\| ChEBI = <!-- blanked - oldvalue: 554299 -->
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG =
			\| ATCCode_prefix =
			\| ATCCode_suffix =
			\| ATC_Supplemental =
			}}
			\| Section2 = {{Chembox Properties
			\| C=11\|H=16\|Cl=1\|O=2\|P=1\|S=3
			\| Appearance =
			\| Density =
			\| MeltingPt =
			\| Melting_notes =
			\| BoilingPt =
			\| Boiling_notes =
			\| Solubility = Insoluble
			\| SolubleOther =
			\| Solvent =
			\| LogP =
			\| VaporPressure =
			\| HenryConstant =
			\| AtmosphericOHRateConstant =
			\| pKa =
			\| pKb =
			}}
			\| Section7 = {{Chembox Hazards
			\| GHSPictograms = {{GHS02}} {{GHS06}} {{GHS environment}}
			\| ExternalMSDS =
			\| EUClass =
			\| EUIndex =
			\| MainHazards =
			\| NFPA-H =
			\| NFPA-F =
			\| NFPA-R =
			\| NFPA-O =
			\| 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>
			\| SPhrases = {{S28}} {{S36/37}} {{S45}} {{S60}} {{S61}} {{S62}}<ref name="chemicalbook" />
			\| RSPhrases =
			\| FlashPt = {{convert\|-18\|C\|F}}
			\| Autoignition =
			\| ExploLimits =
			\| LD50 =
			\| PEL =
			}}
			\| Section8 = {{Chembox Related
			\| OtherAnions =
			\| OtherCations =
			\| OtherFunctn =
			\| Function =
			\| OtherCpds =
			}}
	}}		}}

Revision as of 14:03, 16 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 460940101 of page Carbophenothion with values updated to verified values.

Carbophenothion
Names

IUPAC name S-4-chlorophenylthiomethyl O,O-diethyl phosphorodithioate
Systematic IUPAC name S-methyl] O,O-diethyl phosphorodithioate
Other names Stauffer R 1303
Identifiers
CAS Number	786-19-6
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL452866
ChemSpider	12536
EC Number	212-324-1
PubChem CID	13081
UNII	998NGA2Q61
InChI InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3Key: VEDTXTNSFWUXGQ-UHFFFAOYSA-N 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
SMILES Clc1ccc(SCSP(=S)(OCC)OCC)cc1
Properties
Chemical formula	C₁₁H₁₆ClO₂PS₃
Molar mass	342.85 g·mol
Solubility in water	Insoluble
Hazards
GHS labelling:
Pictograms
Flash point	−18 °C (0 °F)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound

^ "Chemical report". UK: University of Hertfordshire. Retrieved October 28, 2011.
^ "Chemicalbook product entry". Retrieved June 24, 2011.