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Revision as of 13:29, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{drugbox}} taken from revid 459443221 of page Tiagabine for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit Revision as of 13:29, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,141 edits Saving copy of the {{drugbox}} taken from revid 466898453 of page Tiamenidine for the Chem/Drugbox validation project (updated: '').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|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{Drugbox
| Verifiedfields = changed | Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 459442232 | verifiedrevid = 410152515
| IUPAC_name = (''R'')-1- piperidine-3-carboxylic acid
| IUPAC_name =
| image = Tiagabin Structural Formulae.png
| image = Tiamenidine.png


<!--Clinical data--> <!--Clinical data-->
| tradename = Gabitril | tradename =
| pregnancy_category =
| Drugs.com = {{drugs.com|monograph|tiagabine-hydrochloride}}
| MedlinePlus = a698014 | legal_status =
⚫ | routes_of_administration =
| pregnancy_category = B3 <small>(])</small>, C <small>(])</small>
| legal_status = ] <small>(])</small>, ℞-only <small>(U.S.)</small>
⚫ | routes_of_administration = Oral


<!--Pharmacokinetic data--> <!--Pharmacokinetic data-->
| bioavailability = 90% | bioavailability =
| protein_bound = 96% | metabolism =
| excretion =
| metabolism = ] (] system)
| elimination_half-life = 7-9 hours
| excretion = Fecal and ]


<!--Identifiers--> <!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|??|??}}
| ATC_suffix =
| CAS_number_Ref = {{cascite|correct|??}}
⚫ | PubChem = 39974
| CAS_number = 115103-54-3
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ATC_prefix = N03
| ATC_suffix = AG06 | DrugBank =
⚫ | PubChem = 60648
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| DrugBank = DB00906
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 54661 | ChemSpiderID = 36548
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|changed|FDA}}
| UNII = Z80I64HMNP | UNII = 195V08O55G
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D08588 | KEGG = D06127
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 1027 | ChEMBL = 295409
| synonyms =


<!--Chemical data--> <!--Chemical data-->
| C=20 | H=25 | N=1 | O=2 | S=2 | C=8 | H=10 | Cl=1 | N=3 | S=1
| molecular_weight = 375.55 ]/] | molecular_weight = 215.70 g/mol
| smiles = O=C(O)1CN(CCC1)CC/C=C(/c2sccc2C)c3sccc3C | smiles = Clc2scc(c2N/C1=N/CCN1)C
| InChI = 1/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
| InChIKey = PBJUNZJWGZTSKL-MRXNPFEDBV
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 | StdInChI = 1S/C8H10ClN3S/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8/h4H,2-3H2,1H3,(H2,10,11,12)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = PBJUNZJWGZTSKL-MRXNPFEDSA-N | StdInChIKey = CVWILQHZFWRYPB-UHFFFAOYSA-N
}} }}

Revision as of 13:29, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 466898453 of page Tiamenidine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
PubChem CID
ChemSpider
UNII
KEGG
ChEMBL
Chemical and physical data
FormulaC8H10ClN3S
Molar mass215.70 g/mol g·mol
3D model (JSmol)
SMILES
  • Clc2scc(c2N/C1=N/CCN1)C
InChI
  • InChI=1S/C8H10ClN3S/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8/h4H,2-3H2,1H3,(H2,10,11,12)
  • Key:CVWILQHZFWRYPB-UHFFFAOYSA-N
  (what is this?)  (verify)
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