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Revision as of 13:35, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447569049 of page Tioguanine for the Chem/Drugbox validation project (updated: 'DrugBank').← Previous edit Revision as of 13:35, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 470437647 of page Tiopronin 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
| ImageFile = Tiopronin.svg
| verifiedrevid = 419224633
| ImageName = Skeletal formula of tiopronin
| IUPAC_name = 2-amino-7H-purine-6-thiol
| IUPACName = acetic acid{{Citation needed|date=January 2012}}
| image = Tioguanine.svg
| OtherNames = Thiopronine{{Citation needed|date=January 2012}}

| Section1 = {{Chembox Identifiers
<!--Clinical data-->
| CASNo = 1953-02-2
| tradename =
| Drugs.com = {{drugs.com|international|tioguanine}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo1 = 29335-92-0
| MedlinePlus = a682099
⚫ | CASNo1_Ref = {{cascite|correct|??}}
| pregnancy_category =
| CASNo1_Comment = <small>''R''</small>
| legal_status =
⚫ | PubChem = 5483
| routes_of_administration = oral
| PubChem_Ref = {{Pubchemcite|correct|Pubchem}}

| PubChem1 = 208825
<!--Pharmacokinetic data-->
| PubChem1_Ref = {{Pubchemcite|correct|Pubchem}}
| bioavailability = 30% (range 14% to 46%)
| PubChem1_Comment = <small>''R''</small>
| metabolism = Intracellular
| PubChem2 = 736152
| elimination_half-life = 80 minutes (range 25-240 minutes)
| PubChem2_Ref = {{Pubchemcite|correct|Pubchem}}
| excretion =
| PubChem2_Comment = <small>''S''</small>

⚫ | ChemSpiderID = 5283
<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID1 = 180938
| CAS_number = 154-42-7
⚫ | ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}}
| ATC_prefix = L01
| ChemSpiderID1_Comment = <small>''R''</small>
| ATC_suffix = BB03
| ChemSpiderID2 = 643292
⚫ | PubChem = 2723601
| DrugBank_Ref = {{drugbankcite|correct|drugbank}} | ChemSpiderID2_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID2_Comment = <small>''S''</small>
| DrugBank = DB00352
| UNII = C5W04GO61S
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| UNII_Ref = {{fdacite|correct|FDA}}
⚫ | ChemSpiderID = 2005804
| EINECS = 217-778-4
⚫ | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = WIX31ZPX66 | KEGG = D01430
| KEGG_Ref = {{keggcite|correct|kegg}} | KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D08603 | MeSHName = Tiopronin
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL = 1314
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 727 | RTECS = MC0596500
| ATCCode_prefix = R05

| ATCCode_suffix = CB12
<!--Chemical data-->
| ATC_Supplemental = {{ATCvet|G04|BC90}}
⚫ | C=5 | H=5 | N=5 | S=1
| Beilstein = 1859822
| molecular_weight = 167.193 g/mol
| smiles = S=C2/N=C(\Nc1ncnc12)N | SMILES = CC(S)C(=O)NCC(O)=O
| InChI = 1/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) | StdInChI = 1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = WYWHKKSPHMUBEB-UHFFFAOYAY
⚫ | StdInChIKey = YTGJWQPHMWSCST-UHFFFAOYSA-N
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Section2 = {{Chembox Properties
⚫ | StdInChIKey = WYWHKKSPHMUBEB-UHFFFAOYSA-N
⚫ | C=5|H=9|N=1|S=1|O=2
| ExactMass = 163.030313849 g mol<sup>−1</sup>
| Appearance = White, opaque crystals
| MeltingPtCL = 93
| MeltingPtCH = 98
| LogP = −0.674
| pKa = 3.356
| pKb = 10.641
}}
| Section3 = {{Chembox Pharmacology
| Legal_US = Rx
| PregCat_US = C
}}
| Section4 = {{Chembox Hazards
| GHSPictograms = {{GHS exclamation mark}}
| GHSSignalWord = '''WARNING'''
| HPhrases = {{H-phrases|302}}
| EUClass = {{Hazchem Xn}}
| RPhrases = {{R22}}
| SPhrases = {{S36/37}}
| LD50 = 1.300 mg kg<sup>−1</sup> (oral, rat)
}}
| Section5 = {{Chembox Related
| OtherCpds = {{Unbulleted list|]|]}}
}}
}} }}

Revision as of 13:35, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 470437647 of page Tiopronin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Skeletal formula of tiopronin
Names
IUPAC name acetic acid
Other names Thiopronine
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1859822
ChEMBL
ChemSpider
EC Number
  • 217-778-4
KEGG
MeSH Tiopronin
PubChem CID
RTECS number
  • MC0596500
UNII
InChI
  • InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)Key: YTGJWQPHMWSCST-UHFFFAOYSA-N
SMILES
  • CC(S)C(=O)NCC(O)=O
Properties
Chemical formula C5H9NO2S
Molar mass 147.19 g·mol
Appearance White, opaque crystals
log P −0.674
Acidity (pKa) 3.356
Basicity (pKb) 10.641
Pharmacology
Legal status
Hazards
GHS labelling:
Pictograms GHS07: Exclamation mark
Signal word Warning
Hazard statements H302
Lethal dose or concentration (LD, LC):
LD50 (median dose) 1.300 mg kg (oral, rat)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound