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Revision as of 20:08, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 473572888 of page Adefovir for the Chem/Drugbox validation project (updated: 'DrugBank', 'CAS_number').← Previous edit Revision as of 20:08, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 476363865 of page Adenine 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|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{chembox
⚫ | verifiedrevid = 443369401
| Verifiedfields = changed
| ImageFile1 = Adenine chemical structure.png
⚫ | verifiedrevid = 456665883
| ImageSize1 = 150px
| IUPAC_name = {methyl}phosphonic acid
| ImageFileL2 = Adenine-3D-balls.png
| image = Adefovir.svg
| width = 208 | ImageSizeL2 = 120px
| ImageFileR2 = Adenine-3D-vdW.png

| ImageSizeR2 = 120px
<!--Clinical data-->
| IUPACName = 9''H''-purin-6-amine
| tradename =
| OtherNames = 6-aminopurine
| Drugs.com = {{drugs.com|monograph|adefovir-dipivoxil}}
| Section1 = {{Chembox Identifiers
| pregnancy_US = C
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| legal_status = Rx-only
⚫ | UNII = JAC85A2161
| routes_of_administration = Oral

<!--Pharmacokinetic data-->
| bioavailability = 59%
| protein_bound =
| metabolism =
| elimination_half-life = 7.5 hours

<!--Identifiers-->
⚫ | CAS_number_Ref = {{cascite|changed|??}}
| CAS_number = <!-- blanked - oldvalue: 106941-25-7 -->
| ATC_prefix = J05
| ATC_suffix = AF08
| ATC_supplemental =
⚫ | PubChem = 60172
⚫ | DrugBank_Ref = {{drugbankcite|changed|drugbank}}
⚫ | DrugBank = DB00718
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 54252
| NIAID_ChemDB = 028595
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
⚫ | UNII = 6GQP90I798
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D02768 | KEGG = D00034
| InChI = 1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| InChIKey = GFFGJBXGBJISGV-UHFFFAOYAT
⚫ | ChEMBL = 484
| SMILES1 = c1c2c(ncnc2n1)N

<!--Chemical data-->
| C=8 | H=12 | N=5 | O=4 | P=1
| molecular_weight = 273.186 g/mol
| smiles = O=P(O)(O)COCCn1c2ncnc(c2nc1)N
| InChI = 1/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
| InChIKey = SUPKOOSCJHTBAH-UHFFFAOYAL
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) | StdInChI = 1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = SUPKOOSCJHTBAH-UHFFFAOYSA-N | StdInChIKey = GFFGJBXGBJISGV-UHFFFAOYSA-N
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = 226345
| CASNo = 73-24-5
⚫ | CASNo_Ref = {{cascite|correct|??}}
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID=185
⚫ | PubChem = 190
⚫ | DrugBank_Ref = {{drugbankcite|correct|drugbank}}
⚫ | DrugBank = DB00173
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 16708
| SMILES = n1c(c2c(nc1)ncn2)N
| MeSHName =
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>5</sub>H<sub>5</sub>N<sub>5</sub>
| MolarMass = 135.13 g/mol
| Appearance = white, crystalline
| Density = 1.6 g/cm<sup>3</sup> (calculated)
| MeltingPt = 360–365 °C (decomposes)
| BoilingPt =
| pKa=4.15 (secondary), 9.80 (primary)<ref>Dawson, R.M.C., et al., ''Data for Biochemical Research'', Oxford, Clarendon Press, 1959.</ref>
}}
| Section3 = {{Chembox Hazards
| Solubility =
| MainHazards =
| FlashPt =
| Autoignition =
}}
}} }}

Revision as of 20:08, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 476363865 of page Adenine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 9H-purin-6-amine
Other names 6-aminopurine
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)Key: GFFGJBXGBJISGV-UHFFFAOYSA-N
  • InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)Key: GFFGJBXGBJISGV-UHFFFAOYAT
SMILES
  • n1c(c2c(nc1)ncn2)N
  • c1c2c(ncnc2n1)N
Properties
Chemical formula C5H5N5
Molar mass 135.13 g/mol
Appearance white, crystalline
Density 1.6 g/cm (calculated)
Melting point 360–365 °C (decomposes)
Acidity (pKa) 4.15 (secondary), 9.80 (primary)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Dawson, R.M.C., et al., Data for Biochemical Research, Oxford, Clarendon Press, 1959.