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Revision as of 19:47, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466404541 of page Acenaphthylene for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 19:47, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 465219935 of page Acenocoumarol for the Chem/Drugbox validation project (updated: '').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.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|drugbox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~chembox~~		{{Drugbox
	\| verifiedrevid = ~~443364366~~		\| verifiedrevid = 443363165
			\| IUPAC_name = (''RS'')-4-hydroxy-3--2''H''-chromen-2-one
	\| Name = Acenaphthylene
			\| image = Acenocoumarol.svg
⚫	\| ~~ImageFileL1_Ref~~ = {{~~chemboximage~~\|correct\|??}}
			\| width = 200px
	\| ImageFileL1 = Acenaphthylene.svg
			\| imagename = 1 : 1 mixture (racemate)
	\| ImageSizeL1 = 120px
			\| drug_name = Acenocoumarol
	\| ImageAltL1 = Skeletal formula

	\| ImageFileR1 = Acenaphthylene-3D-spacefill.png
			<!--Clinical data-->
	\| ImageSizeR1 = 120px
			\| tradename =
	\| ImageAltR1 = Space-filling model
			\| Drugs.com = {{drugs.com\|CONS\|acenocoumarol}}
	\| IUPACName = acenaphthylene
			\| pregnancy_category = X
	\| OtherNames = Cycopenta(de)naphthalene, Acenaphthalene
			\| legal_UK = POM
	\| Section1 = {{Chembox Identifiers
			\| routes_of_administration = Oral
⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}

⚫	\| ChEBI = ~~33081~~
			<!--Pharmacokinetic data-->
	\| SMILES = c3cc1cccc2\C=C/c(c12)c3
			\| bioavailability =
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
			\| metabolism = ]
⚫	\| ChemSpiderID = ~~8807~~
			\| elimination_half-life = 8 to 11 hours
			\| excretion =

			<!--Identifiers-->
		⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
			\| CAS_number = 152-72-7
			\| ATC_prefix = B01
			\| ATC_suffix = AA07
		⚫	\| PubChem = 9052
			\| DrugBank_Ref = {{drugbankcite\|correct\|drugbank}}
			\| DrugBank = DB01418
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 10443441
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = ~~1Z25C36811~~		\| UNII = I6WP63U32H
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
	\| InChI = 1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
			\| KEGG = D07064
	\| InChIKey = HXGDTGSAIMULJN-UHFFFAOYAQ
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| SMILES1 = c1cc2cccc3c2c(c1)C=C3
		⚫	\| ChEBI = 53766
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 397420

			<!--Chemical data-->
			\| C=19 \| H=15 \| N=1 \| O=6
			\| molecular_weight = {{val\|353.326\|ul=g/mol}}
			\| smiles = (=O)c1ccc(cc1)C(CC(C)=O)C\2=C(/O)c3ccccc3OC/2=O
			\| InChI = 1/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
			\| InChIKey = VABCILAOYCMVPS-UHFFFAOYAI
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C12H8~~/c1-3-~~9-4-2~~-6~~-11~~-8-7-10(5-1)12(9)11/h1-8H		\| StdInChI = 1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~HXGDTGSAIMULJN~~-UHFFFAOYSA-N		\| StdInChIKey = VABCILAOYCMVPS-UHFFFAOYSA-N
⚫	\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = 208-96-8
⚫	\| PubChem = ~~9161~~
	\| RTECS =
	}}
	\| Section2 = {{Chembox Properties
	\|C=12\|H=8
	\| Appearance = Yellow crystalline powder
	\| Density = 0.8987 g cm<sup>-3</sup>
	\| Solubility = Insoluble
	\| Solubility1 = very soluble
	\| Solvent1 = ethanol
	\| Solubility2 = very soluble
	\| Solvent2 = diethyl ether
	\| Solubility3 = very soluble
	\| Solvent3 = benzene
	\| Solubility4 = soluble
	\| Solvent4 = chloroform
	\| MeltingPtC = 91.8
	\| BoilingPtC = 280
	}}
	\| Section3 = {{Chembox Structure
	\| CrystalStruct =
	\| Dipole =
	}}
	\| Section7 = {{Chembox Hazards
	\| ExternalMSDS =
	\| MainHazards =
	\| FlashPt = ?°C
	\| RPhrases = {{R22}} {{R36}} {{R37}} {{R38}}
	\| SPhrases = {{S26}} {{S36}} {{S37}} {{S39}}
	}}
	\| Section8 = {{Chembox Related
	\| OtherCpds = ]
	}}
	}}		}}

Revision as of 19:47, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 465219935 of page Acenocoumarol with values updated to verified values.

Acenocoumarol
Clinical data

AHFS/Drugs.com	Micromedex Detailed Consumer Information
Pregnancy category	X
Routes of administration	Oral
ATC code	B01AA07 (WHO)
Legal status
Legal status	UK: POM (Prescription only)
Pharmacokinetic data
Metabolism	Hepatic
Elimination half-life	8 to 11 hours
Identifiers
IUPAC name (RS)-4-hydroxy-3--2H-chromen-2-one
CAS Number	152-72-7
PubChem CID	9052
DrugBank	DB01418
ChemSpider	10443441
UNII	I6WP63U32H
KEGG	D07064
ChEBI	CHEBI:53766
ChEMBL	ChEMBL397420
Chemical and physical data
Formula	C₁₉H₁₅NO₆
Molar mass	353.326 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES (=O)c1ccc(cc1)C(CC(C)=O)C\2=C(/O)c3ccccc3OC/2=O
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3 Key:VABCILAOYCMVPS-UHFFFAOYSA-N
(verify)