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Revision as of 11:03, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464327279 of page Methane for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit Revision as of 11:05, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 464352342 of page Methylphenidate 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 = 464194286
| Verifiedfields = changed
| IUPAC_name = methyl phenyl(piperidin-2-yl)acetate
| Watchedfields = changed
| image = Methylphenidate-2D-skeletal.svg
| verifiedrevid = 455379140
| width = 160
| ImageFile = Methane-2D-dimensions.svg
| image2 = Methylphenidate-enantiomers-3D-balls.png
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageSize = 160 | width2 = 240

| ImageName = Stereo, skeletal formula of methane with some measurements added
<!--Clinical data-->
| ImageFileL1 = Methane-CRC-MW-3D-balls.png
| tradename = Concerta, Methylin, Ritalin
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| Drugs.com = {{drugs.com|monograph|methylphenidate-hydrochloride}}
| ImageNameL1 = Ball and stick model of methane
| MedlinePlus = a682188
| ImageFileR1 = Methane-3D-space-filling.svg
| licence_US = Methylphenidate
| ImageFileR1_Ref = {{chemboximage|correct|??}}
| pregnancy_category = C
| ImageNameR1 = Spacefill model of methane
| legal_AU = Schedule 8
| IUPACName = {{Unbulleted list|Methane<ref name="methane (CHEBI:16183)">{{Cite web|title=methane (CHEBI:16183)|url=https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16183|work=Chemical Entities of Biological Interest|publisher=European Bioinformatics Institute|accessdate=10 October 2011|location=UK|date=17 October 2009|at=Main}}</ref> ''(substitutive)''|Tetrahydridocarbon<ref name="methane (CHEBI:16183)" /> ''(additive)''}}
| legal_CA = Schedule III
| OtherNames = {{Unbulleted list|Carbon Tetrahydride{{Citation needed|date=November 2011}}|Marsh gas<ref name=webbook>{{cite web|editor1-last=Linstrom|editor1-first=P.J.|editor2-last=Mallard|editor2-first=W.G.| title=Methane|url=http://webbook.nist.gov/cgi/inchi/InChI%3D1S/CH4/h1H4|work=NIST Chemistry WebBook, NIST Standard Reference Database Number 69|publisher=National Institute of Standards and Technology|accessdate=4 December 2011|year=2011}}</ref>|Methyl hydride<ref name=webbook/>}}
| legal_UK = POM
| Section1 = {{Chembox Identifiers
| CASNo = 74-82-8 | legal_US = Schedule II
| routes_of_administration = Oral, Transdermal
| CASNo_Ref = {{cascite|correct|CAS}}

| PubChem = 297
<!--Pharmacokinetic data-->
| PubChem_Ref = {{Pubchemcite|correct|Pubchem}}
| bioavailability = 11–52%
| ChemSpiderID = 291
| protein_bound = 30%
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| metabolism = ] (80%)
| EINECS = 200-812-7
| elimination_half-life = 2–4 hours
| UNNumber = 1971
| excretion = ]
| KEGG = <!-- blanked - oldvalue: C01438 -->

| KEGG_Ref = {{keggcite|correct|kegg}}
<!--Identifiers-->
| MeSHName = Methane
| CASNo_Ref = {{cascite|correct|CAS}}
| ChEBI = 16183
| ChEBI_Ref = {{ebicite|correct|EBI}} | CAS_number_Ref = {{cascite|correct|??}}
| ChEMBL = 17564 | CAS_number = 113-45-1
| ATC_prefix = N06
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| RTECS = PA1490000 | ATC_suffix = BA04
| Beilstein = 1718732 | PubChem = 4158
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| Gmelin = 59
| 3DMet = B01450 | DrugBank = DB00422
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| SMILES = C
| ChemSpiderID = 4015
| StdInChI = 1S/CH4/h1H4
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 207ZZ9QZ49
| StdInChIKey = VNWKTOKETHGBQD-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D04999
}}
| ChEBI_Ref = {{ebicite|correct|EBI}}
| Section2 = {{Chembox Properties
| C = 1 | ChEBI = 6887
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| H = 4
| ChEMBL = 796
| ExactMass = 16.031300128 g mol<sup>−1</sup>

| Appearance = Colorless gas
<!--Chemical data-->
| Odor = Odorless
| C=14 | H=19 | N=1 | O=2
| Density = 655.6 μg cm<sup>−3</sup>
| molecular_weight = 233.31 g/mol
| MeltingPtK = 86
| smiles = O=C(OC)C(c1ccccc1)C2NCCCC2
| BoilingPtK = 111
| InChI = 1/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
| Solubility = 35 mg dm<sup>−3</sup> (at 17 °C)
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| LogP = 1.09
| StdInChI = 1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
}}
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Section3 = {{Chembox Thermochemistry
| StdInChIKey = DUGOZIWVEXMGBE-UHFFFAOYSA-N
| DeltaHf = −74.87 kJ mol<sup>−1</sup>
| melting_point = 214
| DeltaHc = −891.1–−890.3 kJ mol<sup>−1</sup>
| Entropy = 186.25 J K<sup>−1</sup> mol<sup>−1</sup>
| HeatCapacity = 35.69 J K<sup>−1</sup> mol<sup>−1</sup>
}}
| Section4 = {{Chembox Hazards
| GHSPictograms = {{GHS flame}}
| GHSSignalWord = '''DANGER'''
| HPhrases = {{H-phrases|220|280}}
| PPhrases = {{P-phrases|210|410+403}}
| EUIndex = 601-001-00-4
| EUClass = {{Hazchem F+}}
| RPhrases = {{R12}}
| SPhrases = {{S2}}, {{S9}}, {{S16}}, {{S33}}
| NFPA-H = 1
| NFPA-F = 4
| NFPA-R = 0
| FlashPt = −188 °C
| Autoignition = 537 °C
| ExploLimits = 5–15% <ref name=msds>{{cite web|title=Safety Data Sheet: Methane|url=http://www.chemadvisor.com/Matheson/database/msds/00244226000800003.PDF|publisher=Matheson Tri-Gas|accessdate=4 December 2011|author=Matheson Tri-Gas|authorlink=Matheson (compressed gas & equipment)|date=Dec 4, 2009}}</ref>
}}
| Section5 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br />
]
| OtherCpds = ]<br />
]<br />
]<br />
]<br />
]
}}
}} }}

Revision as of 11:05, 6 December 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 464352342 of page Methylphenidate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Trade namesConcerta, Methylin, Ritalin
AHFS/Drugs.comMonograph
MedlinePlusa682188
License data
Pregnancy
category
  • C
Routes of
administration		Oral, Transdermal
ATC code
Legal status
Legal status
Pharmacokinetic data
Bioavailability11–52%
Protein binding30%
MetabolismLiver (80%)
Elimination half-life2–4 hours
ExcretionUrine
Identifiers
IUPAC name
  • methyl phenyl(piperidin-2-yl)acetate
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC14H19NO2
Molar mass233.31 g/mol g·mol
3D model (JSmol)
Melting point214 °C (417 °F)
SMILES
  • O=C(OC)C(c1ccccc1)C2NCCCC2
InChI
  • InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
  • Key:DUGOZIWVEXMGBE-UHFFFAOYSA-N
  (verify)