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Revision as of 13:32, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444020926 of page Nafenopin for the Chem/Drugbox validation project (updated: 'KEGG', 'StdInChI', 'CASNo').← Previous edit Revision as of 13:33, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 456637530 of page Nalidixic_acid for the Chem/Drugbox validation project (updated: 'DrugBank').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 = 394787048
| IUPAC_name = 1-ethyl-7-methyl-4-oxo-naphthyridine-3-carboxylic acid
| image = Nalidixic acid.png

<!--Clinical data-->
| tradename =
| Drugs.com = {{drugs.com|CDI|nalidixic_acid}}
| pregnancy_category = B <small>]</small>
| legal_status =
| routes_of_administration = Oral

<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound = 90%
| metabolism = Partially Hepatic
| elimination_half-life = 6-7 hours, significantly longer in ] impairment

<!--Identifiers-->
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 389-08-2
| ATC_prefix = J01
| ATC_suffix = MB02
| ATC_supplemental =
⚫ | PubChem = 4421
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00779
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 4268
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 093W78U96W | UNII = 3B91HWA56M
| KEGG_Ref = {{keggcite|changed|kegg}}
| ImageFile = Nafenopin.svg
| ImageSize = 200px | KEGG = D00183
| ChEBI_Ref = {{ebicite|changed|EBI}}
| IUPACName = 2-Methyl-2-propanoic acid
| OtherNames = | ChEBI = 100147
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| Section1 = {{Chembox Identifiers
| ChEMBL = 5
| InChI = 1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)

| InChIKey1 = XJGBDJOMWKAZJS-UHFFFAOYSA-N
<!--Chemical data-->
| InChI1 = 1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)
⚫ | C=12 | H=12 | N=2 | O=3
| CASNo = <!-- blanked - oldvalue: 3771-19-5 -->
| molecular_weight = 232.235 g/mol
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
| smiles = O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC
⚫ | PubChem = 19592
| StdInChI_Ref = {{stdinchicite|changed|chemspider}}
⚫ | ChemSpiderID = 18456
| StdInChI = 1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
⚫ | KEGG_Ref = {{keggcite|correct|kegg}}
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
| KEGG = <!-- blanked - oldvalue: C11371 -->
| StdInChIKey = XJGBDJOMWKAZJS-UHFFFAOYSA-N | StdInChIKey = MHWLWQUZZRMNGJ-UHFFFAOYSA-N
| SMILES = O=C(O)C(Oc1ccc(cc1)C3c2ccccc2CCC3)(C)C
| StdInChI = 1S/C20H22O3/c1-20(2,19(21)22)23-16-12-10-15(11-13-16)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,5,7,9H2,1-2H3,(H,21,22)
}}
| Section2 = {{Chembox Properties
⚫ | C=20|H=22|O=3
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| Autoignition =
}}
}} }}

Revision as of 13:33, 24 November 2011

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456637530 of page Nalidixic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
AHFS/Drugs.comConsumer Drug Information
Pregnancy
category
Routes of
administration		Oral
ATC code
Pharmacokinetic data
Protein binding90%
MetabolismPartially Hepatic
Elimination half-life6-7 hours, significantly longer in renal impairment
Identifiers
IUPAC name
  • 1-ethyl-7-methyl-4-oxo-naphthyridine-3-carboxylic acid
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC12H12N2O3
Molar mass232.235 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC
InChI
  • InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
  • Key:MHWLWQUZZRMNGJ-UHFFFAOYSA-N
  (what is this?)  (verify)