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Revision as of 05:21, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 449577696 of page Allylglycine for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 05:22, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 448081843 of page Allylnorpethidine for the Chem/Drugbox validation project (updated: 'CAS_number').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 = 402708622 | verifiedrevid = 421226707
| IUPAC_name = ethyl 4-phenyl-1-prop-2-enylpiperidine-4-carboxylate
|ImageFile=Allylglycine.png
| image = WIN-7681.svg
|ImageSize=180px
| width = 160
|IUPACName=2-Aminopent-4-enoic acid

|OtherNames=
<!--Clinical data-->
|Section1={{Chembox Identifiers
| tradename =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| ChemSpiderID = 13425
| pregnancy_US = <!-- A / B / C / D / X -->
| InChI = 1/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)
| pregnancy_category =
| InChIKey = WNNNWFKQCKFSDK-UHFFFAOYAL
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| SMILES1 = O=C(O)C(N)CC=C
| legal_CA = <!-- Schedule I -->
| legal_UK =
| legal_US =
| legal_status =

<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =

<!--Identifiers-->
| CAS_number = <!-- blanked - oldvalue: 2372-70-5 -->
| ATC_prefix = none
| ATC_suffix =
| PubChem = 16915
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 16026

<!--Chemical data-->
| C=17 | H=23 | N=1 | O=2
| molecular_weight = 273.37 g/mol
| smiles = O=C(OCC)C2(c1ccccc1)CCN(C\C=C)CC2
| InChI = 1/C17H23NO2/c1-3-12-18-13-10-17(11-14-18,16(19)20-4-2)15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3
| InChIKey = YUNKDDDGCRLMAF-UHFFFAOYAA
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8) | StdInChI = 1S/C17H23NO2/c1-3-12-18-13-10-17(11-14-18,16(19)20-4-2)15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = WNNNWFKQCKFSDK-UHFFFAOYSA-N | StdInChIKey = YUNKDDDGCRLMAF-UHFFFAOYSA-N
| synonyms = Allylnorpethidine, WIN-7681
| CASNo = <!-- blanked - oldvalue: 7685-44-1 -->
| PubChem=14044
| SMILES=C=CCC(C(=O)O)N
}}
|Section2={{Chembox Properties
| Formula=C<sub>5</sub>H<sub>9</sub>NO<sub>2</sub>
| MolarMass=115.13 g/mol
| Appearance=
| Density=
| MeltingPtC=265
| BoilingPt=
| Solubility=
}}
|Section3={{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 05:22, 17 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 448081843 of page Allylnorpethidine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other namesAllylnorpethidine, WIN-7681
ATC code
  • none
Identifiers
IUPAC name
  • ethyl 4-phenyl-1-prop-2-enylpiperidine-4-carboxylate
PubChem CID
ChemSpider
Chemical and physical data
FormulaC17H23NO2
Molar mass273.37 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C(OCC)C2(c1ccccc1)CCN(C\C=C)CC2
InChI
  • InChI=1S/C17H23NO2/c1-3-12-18-13-10-17(11-14-18,16(19)20-4-2)15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3
  • Key:YUNKDDDGCRLMAF-UHFFFAOYSA-N
  (verify)