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

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Revision as of 13:08, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{drugbox}} taken from revid 456597371 of page Pinazepam for the Chem/Drugbox validation project (updated: 'DrugBank', 'CAS_number').← Previous edit		Revision as of 13:09, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,081 edits Saving copy of the {{chembox}} taken from revid 456812761 of page Pindone for the Chem/Drugbox validation project (updated: 'KEGG', 'CASNo').Next edit →
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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.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Drugbox~~		{{chembox
	\| Verifiedfields = changed		\| Verifiedfields = changed
		⚫	\| verifiedrevid = 400853137
	\| Watchedfields = changed
		⚫	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
⚫	\| verifiedrevid = ~~408575751~~
			\| ImageFile=Pindone.png
	\| IUPAC_name = 7-chloro-5-phenyl-1-prop-2-yn-1-yl-1,3-dihydro-2''H''-1,4-benzodiazepin-2-one
			\|ImageSize=200px
	\| image = Pinazepam.svg
			\|IUPACName= 2-(2,2-Dimethyl-1-oxopropyl)indane-1,3-dione
	\| width = 150
			\|OtherNames=2-Pivaloyl-1,3-indandione
	\| image2 = Pinazepam3d.png
			\|Section1= {{Chembox Identifiers

		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	<!--Clinical data-->
	\| ~~tradename~~ =		\| ChemSpiderID = 6476
			\| InChI = 1/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3
	\| Drugs.com = {{drugs.com\|international\|pinazepam}}
			\| InChIKey = RZKYEQDPDZUERB-UHFFFAOYAX
	\| pregnancy_category = ?
	\| legal_status = ](US)
	\| routes_of_administration = Oral

	<!--Pharmacokinetic data-->
	\| bioavailability = ?
	\| metabolism = ]
	\| elimination_half-life = ?
	\| excretion = ]

	<!--Identifiers-->
⚫	\| ~~CAS_number_Ref~~ = {{~~cascite~~\|correct\|??}}
⚫	\| ~~CAS_number~~ = <!-- blanked - oldvalue: ~~52463-~~83-9 -->
	\| ATC_prefix = N05
	\| ATC_suffix = BA14
⚫	\| PubChem = ~~40391~~
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
⚫	\| ~~DrugBank~~ = <!-- blanked - oldvalue: ? -->
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 36899
⚫	\| ~~UNII_Ref~~ = {{~~fdacite~~\|changed\|~~FDA~~}}
	\| UNII = 5286RBZ882
⚫	\| ~~KEGG_Ref~~ = {{~~keggcite~~\|correct\|~~kegg~~}}
	\| KEGG = D07314
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| ChEMBL = 1213352

	<!--Chemical data-->
	\| C=18 \| H=13 \| Cl=1 \| N=2 \| O=1
	\| molecular_weight = 308.8
	\| smiles = Clc3cc\1c(N(C(=O)C/N=C/1c2ccccc2)CC#C)cc3
	\| InChI = 1/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2
	\| InChIKey = MFZOSKPPVCIFMT-UHFFFAOYAQ
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C18H13ClN2O~~/c1~~-2-10-21-16-9-8~~-14(19)~~11-15~~(16)~~18(20~~-~~12-17~~(21)~~22)13~~-6-4-3-5-7-13/~~h1,3~~-9,~~11H~~,~~10,12H2~~		\| StdInChI = 1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~MFZOSKPPVCIFMT~~-UHFFFAOYSA-N		\| StdInChIKey = RZKYEQDPDZUERB-UHFFFAOYSA-N
		⚫	\| CASNo_Ref = {{cascite\|correct\|??}}
	\| synonyms = <small>9-chloro-6-phenyl-2-prop-2-ynyl-2,5-diazabicycloundeca-5,8,10,12-tetraen-3-one</small>
		⚫	\| CASNo = <!-- blanked - oldvalue: 83-26-1 -->
		⚫	\| PubChem=6732
		⚫	\| KEGG_Ref = {{keggcite\|changed\|kegg}}
		⚫	\| KEGG = <!-- blanked - oldvalue: C19141 -->
			\| SMILES = O=C2c1ccccc1C(=O)C2C(=O)C(C)(C)C
			}}
			\|Section2= {{Chembox Properties
			\| Formula=C<sub>14</sub>H<sub>14</sub>O<sub>3</sub>
			\| MolarMass=230.26 g/mol
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
			}}
			\|Section3= {{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 13:09, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 456812761 of page Pindone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2-(2,2-Dimethyl-1-oxopropyl)indane-1,3-dione
Other names 2-Pivaloyl-1,3-indandione
Identifiers
3D model (JSmol)	Interactive image
ChemSpider	6476
PubChem CID	6732
InChI InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3Key: RZKYEQDPDZUERB-UHFFFAOYSA-N InChI=1/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3Key: RZKYEQDPDZUERB-UHFFFAOYAX
SMILES O=C2c1ccccc1C(=O)C2C(=O)C(C)(C)C
Properties
Chemical formula	C₁₄H₁₄O₃
Molar mass	230.26 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound