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Revision as of 19:46, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 451608458 of page Acefurtiamine for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 19:46, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 460954427 of page Acefylline for the Chem/Drugbox validation project (updated: 'CAS_number').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
| Watchedfields = changed | Watchedfields = changed
| verifiedrevid = 443668196 | verifiedrevid = 443362786
| IUPAC_name = 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid
| IUPAC_name = (3''E'')-4-{(formyl)amino}-3-pent-3-en-1-yl (acetyloxy)acetate
| image = Acefurtiamine.svg | image = Acefylline.png
| width = 200
| imagename = <!-- else may use drug_name -->
| drug_name = Acefurtiamine<!-- else may use imagename -->


<!--Clinical data--> <!--Clinical data-->
| tradename = | tradename =
| licence_EU = <!-- EMEA requires brand name -->
| licence_US = <!-- FDA may use generic name -->
| DailyMedID = <!-- preference to licence_US -->
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category = | pregnancy_category =
| legal_status =
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| routes_of_administration =
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->

| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
<!--Pharmacokinetic data-->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =


<!--Identifiers--> <!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = <!-- blanked - oldvalue: 10072-48-7 --> | CAS_number = <!-- blanked - oldvalue: 652-37-9 -->
⚫ | PubChem = 3037171
| ATC_prefix =
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| ATC_suffix =
⚫ | PubChem = 69550
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 2300987 | ChemSpiderID = 62754
| UNII_Ref = {{fdacite|correct|FDA}} | UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 6APJ3D1308 | UNII = M494UE2YEP
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 70246


<!--Chemical data--> <!--Chemical data-->
| C=21 | H=24 | N=4 | O=7 | S=1 | C=9 | H=10 | N=4 |O=4

| molecular_weight = 476.503 | molecular_weight = 238.20 g/mol
| smiles = O=C(OCC(=O)OCCC(\SC(=O)c1occc1)=C(/N(C=O)Cc2cnc(nc2N)C)C)C
| smiles = O=C2N(c1ncn(c1C(=O)N2C)CC(=O)O)C
| InChI = 1/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
| InChIKey = HCYFGRCYSCXKNQ-UHFFFAOYAG
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)/b18-13+ | StdInChI = 1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = MYBUGVXNAHWTOL-QGOAFFKASA-N | StdInChIKey = HCYFGRCYSCXKNQ-UHFFFAOYSA-N
}} }}

Revision as of 19:46, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 460954427 of page Acefylline with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid
PubChem CID
ChemSpider
UNII
ChEMBL
Chemical and physical data
FormulaC9H10N4O4
Molar mass238.20 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C2N(c1ncn(c1C(=O)N2C)CC(=O)O)C
InChI
  • InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
  • Key:HCYFGRCYSCXKNQ-UHFFFAOYSA-N
  (verify)
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