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Revision as of 14:16, 5 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 463660296 of page Primaquine for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit Revision as of 14:16, 5 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 414590842 of page Primuline for the Chem/Drugbox validation project (updated: '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 = 400861822
| Verifiedfields = changed
| ImageFile = Primuline.png
⚫ | verifiedrevid = 411549619
| ImageSize =
| IUPAC_name = (''RS'')-''N''-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
| ImageFile1 = Primuline-3D-balls.png
| image = Primaquine.svg
| ImageSize1 = 200px
| imagename = 1 : 1 mixture (racemate)
| drug_name = Primaquine | IUPACName =
| OtherNames =

| Section1 = {{Chembox Identifiers
<!--Clinical data-->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| tradename =
⚫ | ChemSpiderID = 74524
| Drugs.com = {{drugs.com|monograph|primaquine-phosphate}}
| InChI = 1/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1
| MedlinePlus = a607037
| InChIKey = RSRNHSYYBLEMOI-REWHXWOFAP
| pregnancy_category = ?
| legal_US = Rx-only
| legal_status = Unlicensed (UK)
| routes_of_administration = Oral

<!--Pharmacokinetic data-->
| bioavailability = 96%<ref>{{cite journal | author = Mihaly GW, Ward SA, Edwards G, ''et al.'' | title = Pharmacokinetics of primaquine in man. I. studies of the absolute bioavailability and effects of dose size | year = 1985 | journal = Br J Clin Pharmacol | volume = 19 | pages = 745&ndash;50 | pmid = 4027117 | issue = 6 | pmc = 1463857}}</ref>
| metabolism = Liver
| elimination_half-life = 6 hours
| excretion = ?

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 90-34-6
| ATC_prefix = P01
| ATC_suffix = BA03
⚫ | PubChem = 4908
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB01087
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 4739
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = MVR3634GX1
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D08420
| ChEBI_Ref = {{ebicite|changed|EBI}}
| ChEBI = 8405
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 506

<!--Chemical data-->
| C=15 | H=21 | N=3 | O=1
| molecular_weight = 259.347 g/mol
| smiles = O(c1cc(NC(C)CCCN)c2ncccc2c1)C
| InChI = 1/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
| InChIKey = INDBQLZJXZLFIT-UHFFFAOYAU
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3 | StdInChI = 1S/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = INDBQLZJXZLFIT-UHFFFAOYSA-N | StdInChIKey = RSRNHSYYBLEMOI-UHFFFAOYSA-M
| CASNo = <!-- blanked - oldvalue: 8064-60-6 -->
⚫ | PubChem =
| SMILES = .S(=O)(=O)c1c(ccc2nc(sc12)c4ccc3nc(sc3c4)c5ccc(N)cc5)C
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>21</sub>H<sub>15</sub>N<sub>3</sub>O<sub>3</sub>S<sub>3</sub> (free acid)
| MolarMass = 453.557 g/mol (free acid)
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| Autoignition =
}}
}} }}

Revision as of 14:16, 5 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 414590842 of page Primuline with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1Key: RSRNHSYYBLEMOI-UHFFFAOYSA-M
  • InChI=1/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1Key: RSRNHSYYBLEMOI-REWHXWOFAP
SMILES
  • .S(=O)(=O)c1c(ccc2nc(sc12)c4ccc3nc(sc3c4)c5ccc(N)cc5)C
Properties
Chemical formula C21H15N3O3S3 (free acid)
Molar mass 453.557 g/mol (free acid)
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