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Revision as of 12:22, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 441009579 of page Terephthaloyl_chloride for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 12:23, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456991219 of page Terfenadine for the Chem/Drugbox validation project (updated: 'DrugBank', 'StdInChI').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 = 402682007 | verifiedrevid = 420247890
⚫ | ImageFile_Ref = {{chemboximage|correct|??}}
| IUPAC_name = (''RS'')-1-(4-''tert''-butylphenyl)-4-{4-piperidin-1-yl}-butan-1-ol
| ImageFile = Terephthaloylchloride.png
| image = Terfenadine.svg
| ImageName = Skeletal formula
| width = 200
| ImageFile1 = Terephthaloyl-chloride-3D-balls.png
| imagename = 1 : 1 mixture (racemate)
| ImageName1 = Ball-and-stick model
| drug_name = Terfenadine
| IUPACName = Terephthaloyl dichloride

| OtherNames = 1,4-Benzenedicarbonyl chloride, Benzene-1,4-dicarbonyl chloride, Terephthalic acid dichloride, Terephthaloyl dichloride, p-Phthalyl chloride, TCL
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| tradename =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| Drugs.com = {{drugs.com|MTM|terfenadine}}
⚫ | ChemSpiderID = 7207
| MedlinePlus = a600034
| InChI = 1/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H
| pregnancy_category =
| InChIKey = LXEJRKJRKIFVNY-UHFFFAOYAY
| legal_status = Withdrawn
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| routes_of_administration =
| StdInChI = 1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H

⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
<!--Pharmacokinetic data-->
⚫ | StdInChIKey = LXEJRKJRKIFVNY-UHFFFAOYSA-N
| bioavailability =
| protein_bound = 70%
| metabolism =
| elimination_half-life = 3.5 hours

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| CASNo = 100-20-9
| CAS_number = 50679-08-8
⚫ | PubChem = 7488
| ATC_prefix = R06
| SMILES = O=C(Cl)c1ccc(C(Cl)=O)cc1
| ATC_suffix = AX12
}}
⚫ | PubChem = 5405
| Section2 = {{Chembox Properties
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| Formula = C<sub>8</sub>H<sub>4</sub>Cl<sub>2</sub>O<sub>2</sub>
| DrugBank = DB00342
| MolarMass = 203.02 g/mol
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| Appearance =
⚫ | ChemSpiderID = 5212
| Density = 1.34 g/cm<sup>3</sup>
| UNII_Ref = {{fdacite|correct|FDA}}
| MeltingPt = 81.5-83 °C
| UNII = 7BA5G9Y06Q
| BoilingPt = 265 °C
| KEGG_Ref = {{keggcite|correct|kegg}}
| Solubility =
| KEGG = D00521
}}
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| Section3 = {{Chembox Hazards
| MainHazards = | ChEMBL = 17157

| FlashPt =
<!--Chemical data-->
| Autoignition =
| C=32 | H=41 | N=1 | O=2
}}
| molecular_weight = 471.673 ]/]
| smiles = OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4
| InChI = 1/C32H41NO2/c1-31(2,3) 26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33) 32(35,27-11-6-4-7-12-27) 28-13-8-5-9-14-28/ h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
| InChIKey = GUGOEEXESWIERI-UHFFFAOYAL
⚫ | StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChI = 1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = GUGOEEXESWIERI-UHFFFAOYSA-N
}} }}

Revision as of 12:23, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456991219 of page Terfenadine with values updated to verified values.
Terfenadine
Clinical data
AHFS/Drugs.comMultum Consumer Information
MedlinePlusa600034
ATC code
Legal status
Legal status
  • Withdrawn
Pharmacokinetic data
Protein binding70%
Elimination half-life3.5 hours
Identifiers
IUPAC name
  • (RS)-1-(4-tert-butylphenyl)-4-{4-piperidin-1-yl}-butan-1-ol
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEMBL
Chemical and physical data
FormulaC32H41NO2
Molar mass471.673 g/mol g·mol
3D model (JSmol)
SMILES
  • OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4
InChI
  • InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
  • Key:GUGOEEXESWIERI-UHFFFAOYSA-N
  (what is this?)  (verify)