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Revision as of 12:21, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 451564362 of page Terbequinil for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 12:22, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 451335555 of page Terbogrel for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{chembox
| verifiedrevid = 451335956
| IUPAC_name = 1-(methoxymethyl)-4-oxo-N-propylquinoline-3-carboxamide
| image = Terbequinil_structure.png
| width = 200

<!--Clinical data-->
| tradename =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category =
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL / P / POM / CD / Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| routes_of_administration =

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

<!--Identifiers-->
| CAS_number = <!-- blanked - oldvalue: 113079-82-6 -->
| ATC_prefix = none
| PubChem = 65916
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 59325
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 0DH9WUS03O | UNII = 5Z4KWQ5OGN
| ImageFile = Terbogrel structure.png

| ImageSize =
<!--Chemical data-->
| IUPACName = (5E)-6-{3-phenyl}-6-pyridin-3-ylhex-5-enoic acid
| C=15 | H=18 | N=2 | O=3
| OtherNames =
| molecular_weight = 274.315 g/mol
| Section1 = {{Chembox Identifiers
| smiles = CCCNC(=O)C1=CN(C2=CC=CC=C2C1=O)COC
| CASNo = <!-- blanked - oldvalue: 149979-74-8 -->
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| ChEMBL = 281398
| StdInChI = 1S/C15H18N2O3/c1-3-8-16-15(19)12-9-17(10-20-2)13-7-5-4-6-11(13)14(12)18/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)
| PubChem = 6449876
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| ChemSpiderID = 4952549
| StdInChIKey = RIPDGZHPNKQLDC-UHFFFAOYSA-N
| KEGG = D06077
| StdInChI = 1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
| StdInChIKey = XUTLOCQNGLJNSA-RGVLZGJSSA-N
| SMILES = N#CN\C(=N/C(C)(C)C)Nc2cccc(C(=C/CCCC(=O)O)\c1cccnc1)c2
| InChI = InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
}}
| Section2 = {{Chembox Properties
| Formula = C23H27N5O2
| MolarMass = 405.49
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| Autoignition =
}}
}} }}

Revision as of 12:22, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 451335555 of page Terbogrel with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name (5E)-6-{3-phenyl}-6-pyridin-3-ylhex-5-enoic acid
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
KEGG
PubChem CID
InChI
  • InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+Key: XUTLOCQNGLJNSA-RGVLZGJSSA-N
  • InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
SMILES
  • N#CN\C(=N/C(C)(C)C)Nc2cccc(C(=C/CCCC(=O)O)\c1cccnc1)c2
Properties
Chemical formula C23H27N5O2
Molar mass 405.49
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound
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