Misplaced Pages

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

Article snapshot taken from Wikipedia with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively← Previous editNext edit →Content deleted Content addedVisualWikitext
Revision as of 12:29, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477073532 of page Styrene for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit Revision as of 12:35, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 477105089 of page Sumatriptan for the Chem/Drugbox validation project (updated: 'DrugBank').Next edit →
Line 1: Line 1:
{{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 | Verifiedfields = changed
| verifiedrevid = 470474818
| Watchedfields = changed
| IUPAC_name = 1-- N-methyl-methanesulfonamide
| verifiedrevid = 461937052
| image = Sumatriptan.svg
| Name = Styrene

| ImageFile = Styrene.svg
<!--Clinical data-->
| ImageSize = 150px
| tradename = Imitrex
| ImageFile1 = Styrene-from-xtal-2001-3D-balls.png
| Drugs.com = {{drugs.com|monograph|sumatriptan}}
| ImageSize1 =180px
| licence_US = Sumatriptan
| ImageName = Styrene
| pregnancy_category = C
| PIN = Phenylethene
| routes_of_administration = tablet, subcutaneous injection, nasal spray
| SystematicName = Ethenylbenzene

| OtherNames = Vinyl benzene; cinnamene; styrol; phenylethene; diarex HF 77; styrolene; styropol; vinylbenzene
<!--Pharmacokinetic data-->
| Section1 = {{Chembox Identifiers
| bioavailability = 15% (oral)/ 96% (s.c)
| UNII_Ref = {{fdacite|correct|FDA}}
| protein_bound = 14%-21%
| UNII = 44LJ2U959V
| metabolism = ]
| elimination_half-life = 2.5 hours
| excretion = 60% ]; 40% ]

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 103628-46-2
| ATC_prefix = N02
| ATC_suffix = CC01
| PubChem = 5358
| IUPHAR_ligand = 54
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| DrugBank = DB00669
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 7220 | ChemSpiderID = 5165
| ChEBI_Ref = {{ebicite|correct|EBI}} | UNII_Ref = {{fdacite|correct|FDA}}
| ChEBI = 27452 | UNII = 8R78F6L9VO
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D00451
| StdInChI = 1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 10650
| StdInChIKey = PPBRXRYQALVLMV-UHFFFAOYSA-N
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| SMILES = c1ccccc1C=C
| ChEMBL = 128
| CASNo_Ref = {{cascite|correct|CAS}}

| CASNo = 100-42-5
<!--Chemical data-->
| RTECS = WL3675000
| C=14 | H=21 | N=3 | O=2 | S=1
| PubChem = 7501
| molecular_weight = 295.402 g/mol
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| smiles = O=S(=O)(NC)Cc1cc2c(cc1)ncc2CCN(C)C
| ChEMBL = 285235
| InChI = 1/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
| KEGG_Ref = {{keggcite|changed|kegg}}
| InChIKey = KQKPFRSPSRPDEB-UHFFFAOYAF
| KEGG = <!-- blanked - oldvalue: C07083 -->
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
}}
| StdInChI = 1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
| Section2 = {{Chembox Properties
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Formula = C<sub>8</sub>H<sub>8</sub>
| StdInChIKey = KQKPFRSPSRPDEB-UHFFFAOYSA-N
| MolarMass = 104.15&nbsp;g/mol
| Appearance = colorless oily liquid
| Density = 0.909&nbsp;g/cm³
| Solubility =< 1%
| MeltingPtC = -30
| BoilingPtC = 145
| Viscosity = 0.762 c] at 20&nbsp;°C
| RefractIndex = 1.5469
}}
| Section3 = {{Chembox Structure
| Dipole = 0.13 ]
}}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| MainHazards = flammable, toxic
| FlashPt = 31&nbsp;°C
| NFPA-F = 3
| NFPA-H = 2
| NFPA-R = 2
| NFPA-O = ?
| RPhrases = {{R10}} {{R36}}
| SPhrases = {{S38}} {{S20}} {{S23}}
}}
| Section8 = {{Chembox Other
| Function = styrenes
| OtherFunctn = ]<br />]
| Function = ] compounds
| OtherFunctn = ]}}
}} }}

Revision as of 12:35, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477105089 of page Sumatriptan with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Trade namesImitrex
AHFS/Drugs.comMonograph
License data
Pregnancy
category
  • C
Routes of
administration
tablet, subcutaneous injection, nasal spray
ATC code
Pharmacokinetic data
Bioavailability15% (oral)/ 96% (s.c)
Protein binding14%-21%
MetabolismMAO
Elimination half-life2.5 hours
Excretion60% urine; 40% feces
Identifiers
IUPAC name
  • 1-- N-methyl-methanesulfonamide
CAS Number
PubChem CID
IUPHAR/BPS
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC14H21N3O2S
Molar mass295.402 g/mol g·mol
3D model (JSmol)
SMILES
  • O=S(=O)(NC)Cc1cc2c(cc1)ncc2CCN(C)C
InChI
  • InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
  • Key:KQKPFRSPSRPDEB-UHFFFAOYSA-N
  (what is this?)  (verify)