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Revision as of 13:45, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 459474989 of page Torezolid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CAS_number').← Previous edit Revision as of 13:46, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 465807331 of page Torreyanic_acid 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
| Verifiedfields = changed | Verifiedfields = changed
| Watchedfields = changed
| verifiedrevid = 459473288 | verifiedrevid = 458613030
| IUPAC_name = (5''R'')-3-{3-fluoro-4-phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one
| IUPAC_name = (2E,2'E)-4,4'-benzoxirenoisochromene-7a,11a(5H,11H)-diyl]bis(2-met hylbut-2-enoic acid)
| image = Torezolid.svg
| image = torreyanic_acid.png
| width = 171


<!--Clinical data--> <!--Clinical data-->
| tradename = | tradename =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category =
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status = Investigational
| routes_of_administration =

⚫ <!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =


<!--Identifiers--> <!--Identifiers-->
| CAS_number_Ref = {{cascite|changed|??}} | CAS_number_Ref = {{cascite|changed|??}}
| CAS_number = <!-- blanked - oldvalue: 856866-72-3 --> | CAS_number = <!-- blanked - oldvalue: 176260-42-7 -->
| ATC_prefix = none | ATC_prefix = none
| ATC_suffix =
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1 | StdInChI = 1S/C38H44O12/c1-5-7-9-11-21-23-24-25(28(40)32-36(49-32,29(24)41)15-13-18(3)33(42)43)30(48-21)38-20(17-47-22(26(23)38)12-10-8-6-2)27(39)31-37(50-31,35(38)46)16-14-19(4)34(44)45/h13-14,17,21-23,26,30-32H,5-12,15-16H2,1-4H3,(H,42,43)(H,44,45)/b18-13+,19-14+/t21?,22-,23?,26+,30?,31+,32+,36-,37+,38-/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = XFALPSLJIHVRKE-GFCCVEGCSA-N | StdInChIKey = DQBVXDMPCDAQGS-YOWCJFHESA-N
| PubChem =
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 9409096 | ChemSpiderID = 10307511

| UNII_Ref = {{fdacite|correct|FDA}}
⚫ <!--Chemical data-->
| UNII = 97HLQ82NGL
⚫ | C=38 | H=44 | O=12
| KEGG_Ref = {{keggcite|correct|kegg}}
⚫ | molecular_weight = 692.7488 g/mol
| KEGG = D09685
| smiles = O2\C=C/4(O)1O1(CO)42O3O((O)(O)3O)CO
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| InChI = 1/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
| ChEMBL = <!-- blanked - oldvalue: 1257051 -->
| InChIKey = LHDWRKICQLTVDL-PZYDOOQIBS
⚫ | C=17 | H=15 | F=1 | N=6 | O=3
⚫ | molecular_weight = 370.338 g/mol
| smiles = O=C4O(CN4c3cc(F)c(c1ccc(nc1)c2nn(nn2)C)cc3)CO
}} }}

Revision as of 13:46, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 465807331 of page Torreyanic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
ATC code
  • none
Identifiers
IUPAC name
  • (2E,2'E)-4,4'-benzoxirenoisochromene-7a,11a(5H,11H)-diyl]bis(2-met hylbut-2-enoic acid)
ChemSpider
Chemical and physical data
FormulaC38H44O12
Molar mass692.7488 g/mol g·mol
3D model (JSmol)
SMILES
  • O2\C=C/4(O)1O1(CO)42O3O((O)(O)3O)CO
InChI
  • InChI=1S/C38H44O12/c1-5-7-9-11-21-23-24-25(28(40)32-36(49-32,29(24)41)15-13-18(3)33(42)43)30(48-21)38-20(17-47-22(26(23)38)12-10-8-6-2)27(39)31-37(50-31,35(38)46)16-14-19(4)34(44)45/h13-14,17,21-23,26,30-32H,5-12,15-16H2,1-4H3,(H,42,43)(H,44,45)/b18-13+,19-14+/t21?,22-,23?,26+,30?,31+,32+,36-,37+,38-/m1/s1
  • Key:DQBVXDMPCDAQGS-YOWCJFHESA-N
  (what is this?)  (verify)