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

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Revision as of 16:08, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457086247 of page Vorozole for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'CAS_number').← Previous edit		Revision as of 16:10, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 423264570 of page Wedelolactone for the Chem/Drugbox validation project (updated: '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
	\| Watchedfields = changed		\| Watchedfields = changed
	\| verifiedrevid = ~~409110490~~		\| verifiedrevid = 410175363
			\|ImageFile=Wedelolactone.png
	\| IUPAC_name = 6--<br>-1-methylbenzotriazole
			\|ImageSize=200px
	\| image = Vorozole.svg
			\|IUPACName= 1,8,9-trihydroxy-3-methoxy-6H-benzofurochromen-6-one

			\|OtherNames=
	<!--Clinical data-->
			\|Section1= {{Chembox Identifiers
	\| tradename =
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| pregnancy_category =
	\| ~~legal_status~~ =		\| ChemSpiderID = 4445124
	\| routes_of_administration =

	<!--Pharmacokinetic data-->
	\| bioavailability = Very high
	\| metabolism = Hepatic
	\| elimination_half-life = 8 hours
	\| excretion =

	<!--Identifiers-->
⚫	\| ~~CAS_number_Ref~~ = {{~~cascite~~\|correct\|??}}
⚫	\| ~~CAS_number~~ = <!-- blanked - oldvalue: ~~118949~~-22-7 -->
	\| ATC_prefix = L02
	\| ATC_suffix = BG05
⚫	\| PubChem = ~~6918191~~
	\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = 5293402
	\| UNII_Ref = {{fdacite\|changed\|FDA}}
	\| UNII = 1E2S9YXV2A
	\| KEGG_Ref = {{keggcite\|correct\|kegg}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| KEGG = ~~D03786~~		\| KEGG = C10541
			\| InChI = 1/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
	\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
			\| InChIKey = XQDCKJKKMFWXGB-UHFFFAOYAT
⚫	\| ChEMBL = ~~224060~~
		⚫	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}

		⚫	\| ChEMBL = 97453
	<!--Chemical data-->
	\| C=16 \| H=13 \| Cl=1 \| N=6
	\| molecular_weight = 324.768 g/mol
	\| smiles = Clc1ccc(cc1)(c2ccc3nnn(c3c2)C)n4ncnc4
	\| InChI = 1/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
	\| InChIKey = XLMPPFTZALNBFS-INIZCTEOBI
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C16H13ClN6~~/c1-22-15-8-12(4-7-14(15)20-21-22)16(~~23-10-~~18~~-9-19-23~~)~~11-2-~~5-13(17)6-~~3-11~~/h2-10,~~16H~~,1H3~~/t16-/m0/s1~~		\| StdInChI = 1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~XLMPPFTZALNBFS~~-~~INIZCTEOSA~~-N		\| StdInChIKey = XQDCKJKKMFWXGB-UHFFFAOYSA-N
		⚫	\| CASNo = <!-- blanked - oldvalue: 524-12-9 -->
		⚫	\| PubChem = 5281813
			\| SMILES = O=C3Oc4cc(OC)cc(O)c4c2oc1c(cc(O)c(O)c1)c23
			}}
			\|Section2= {{Chembox Properties
			\| Formula = C<sub>16</sub>H<sub>10</sub>O<sub>7</sub>
			\| MolarMass= 314.24 g/mol
			\| ExactMass = 314.042653 u
			\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
			}}
			\|Section3= {{Chembox Hazards
			\| MainHazards=
			\| FlashPt=
			\| Autoignition=
			}}
	}}		}}

Revision as of 16:10, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 423264570 of page Wedelolactone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 1,8,9-trihydroxy-3-methoxy-6H-benzofurochromen-6-one
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL97453
ChemSpider	4445124
KEGG	C10541
PubChem CID	5281813
InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3Key: XQDCKJKKMFWXGB-UHFFFAOYSA-N InChI=1/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3Key: XQDCKJKKMFWXGB-UHFFFAOYAT
SMILES O=C3Oc4cc(OC)cc(O)c4c2oc1c(cc(O)c(O)c1)c23
Properties
Chemical formula	C₁₆H₁₀O₇
Molar mass	314.24 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound