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

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Revision as of 14:27, 5 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 462614815 of page Propadiene for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 14:28, 5 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 456801566 of page Propafenone 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
			\| Verifiedfields = changed
	\| verifiedrevid = ~~406949009~~		\| verifiedrevid = 416712608
	\| ImageFileL1 = Allene.png
			\| IUPAC_name = 1-{2-phenyl}-3-phenylpropan-1-one
⚫	\| ~~ImageFileL1_Ref~~ = {{~~chemboximage~~\|correct\|??}}
			\| image = propafenone.svg
	\| ImageSizeL1 = 121
			\| width = 185
	\| ImageNameL1 = Stereo structural formula of propadiene with explicit hydrogens

	\| ImageFileR1 = Allene3D.png
			<!--Clinical data-->
	\| ImageFileR1_Ref = {{Chemboximage\|correct\|??}}
	\| ~~ImageSizeR1~~ = ~~121~~		\| tradename = Rythmol
			\| Drugs.com = {{drugs.com\|monograph\|propafenone-hydrochloride}}
	\| ImageNameR1 = Spacefill model of propadiene
			\| MedlinePlus = a698002
	\| ImageFile2 = Allene-CRC-IR-3D-balls.png
			\| pregnancy_category = C
	\| ImageFile2_Ref = {{Chemboximage\|correct\|??}}
			\| legal_status = Prescription only
	\| ImageSize2 = 160
			\| routes_of_administration = Oral
	\| ImageName2 = Ball and stick model of propadiene

	\| IUPACName = Allene
			<!--Pharmacokinetic data-->
	\| SystematicName = <!-- Propa-1,2-diene (substitutive) OR dimethylenecarbon (additive) -->
			\| bioavailability = ?
	\| Section1 = {{Chembox Identifiers
			\| protein_bound = 97%
	\| CASNo = 463-49-0
			\| metabolism =
⚫	\| ~~CASNo_Ref~~ = {{~~cascite~~\|correct\|~~CAS~~}}
			\| elimination_half-life = 2-10 hours
	\| PubChem = 10037

	\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}
			<!--Identifiers-->
	\| ChemSpiderID = 9642
	\| ~~ChemSpiderID_Ref~~ = {{~~chemspidercite~~\|correct\|~~chemspider~~}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
		⚫	\| CAS_number_Ref = {{cascite\|correct\|??}}
	\| EINECS = 207-335-3
			\| CAS_number = 54063-53-5
	\| UNNumber = 2200
			\| ATC_prefix = C01
	\| MeSHName = Propadiene
			\| ATC_suffix = BC03
	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ATC_supplemental =
	\| ChEBI = 37601
	\| ~~ChEMBL~~ = ~~116960~~		\| PubChem = 4932
	\| ~~ChEMBL_Ref~~ = {{~~ebicite~~\|~~correct~~\|~~EBI~~}}		\| DrugBank_Ref = {{drugbankcite\|changed\|drugbank}}
	\| ~~Beilstein~~ = ~~1730774~~		\| DrugBank = DB01182
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| Gmelin = 860
	\| ~~SMILES~~ = ~~C=C=C~~		\| ChemSpiderID = 4763
		⚫	\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| SMILES1 = C(=C)=C
			\| UNII = 68IQX3T69U
	\| StdInChI = 1S/C3H4/c1-3-2/h1-2H2
	\| ~~StdInChI_Ref~~ = {{~~stdinchicite~~\|correct\|~~chemspider~~}}		\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG = D08435
⚫	\| StdInChIKey = ~~IYABWNGZIDDRAK~~-UHFFFAOYSA-N
	\| ~~StdInChIKey_Ref~~ = {{~~stdinchicite~~\|correct\|~~chemspider~~}}		\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
			\| ChEMBL = 631
	}}

	\| Section2 = {{Chembox Properties
			<!--Chemical data-->
	\| C = 3
	\| H = 4		\| C=21 \| H=27 \| N=1 \| O=3
	\| ~~ExactMass~~ = 40.~~031300128~~ g mol~~<sup>-1</sup>~~		\| molecular_weight = 341.444 g/mol
			\| smiles = O=C(c1ccccc1OCC(O)CNCCC)CCc2ccccc2
	\| Appearance = Colorless gas
			\| InChI = 1/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
	\| MeltingPtC = -136
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| BoilingPtC = -34
			\| StdInChI = 1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
	\| LogP = 1.45}}
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| Section3 = {{Chembox Hazards
		⚫	\| StdInChIKey = JWHAUXFOSRPERK-UHFFFAOYSA-N
	\| ExternalMSDS =
	\| EUClass = {{Hazchem F+}}
	\| RPhrases = {{R12}}
	\| SPhrases = {{S9}}, {{S16}}, {{S33}}
	\| NFPA-H = 0
	\| NFPA-F = 4
	\| NFPA-R = 3
	\| ExploLimits = 13%}}
	}}		}}

Revision as of 14:28, 5 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456801566 of page Propafenone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Rythmol
AHFS/Drugs.com	Monograph
MedlinePlus	a698002
Pregnancy category	C
Routes of administration	Oral
ATC code	C01BC03 (WHO)
Legal status
Legal status	In general: ℞ (Prescription only)
Pharmacokinetic data
Bioavailability	?
Protein binding	97%
Elimination half-life	2-10 hours
Identifiers
IUPAC name 1-{2-phenyl}-3-phenylpropan-1-one
CAS Number	54063-53-5
PubChem CID	4932
DrugBank	DB01182
ChemSpider	4763
UNII	68IQX3T69U
KEGG	D08435
ChEMBL	ChEMBL631
Chemical and physical data
Formula	C₂₁H₂₇NO₃
Molar mass	341.444 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES O=C(c1ccccc1OCC(O)CNCCC)CCc2ccccc2
InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3 Key:JWHAUXFOSRPERK-UHFFFAOYSA-N
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