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Revision as of 19:35, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 447430165 of page AM251 for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 19:35, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 460001893 of page AM404 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
| verifiedrevid = 407629142 | verifiedrevid = 419371651
| IUPAC_name = (5''Z'',8''Z'',11''Z'',14''Z'')- ''N''-(4-hydroxyphenyl)icosa- 5,8,11,14-tetraenamide
| IUPAC_name = 1-(2,4-dichloro])-5-(4-iodophenyl)-4-]-<br />''N''-(1-])]-3-]
| image = AM2512d.png | image = AM404_skel.svg
| width = 160 | width = 240
| image2 = AM2513d.png


<!--Clinical data--> <!--Clinical data-->
Line 13: Line 12:


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


<!--Identifiers--> <!--Identifiers-->
| CASNo_Ref = {{cascite|??|??}}
| CAS_number = <!-- blanked - oldvalue: 183232-66-8 --> | CAS_number = <!-- blanked - oldvalue: 183718-77-6 -->
⚫ | PubChem = 2125
| CAS_supplemental = {{CAS|198022-70-7}}
| IUPHAR_ligand = 744
⚫ | PubChem = 6604822
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 2040 | ChemSpiderID = 5037081
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 285932 | ChEMBL = 39878


<!--Chemical data--> <!--Chemical data-->
| C=22 | H=21 | Cl=2 | I=1 | N=4 | O=1 | C=26 | H=37 | N=1 | O=2
| molecular_weight = 555.238 g/mol | molecular_weight = 395.577 g/mol
| smiles = O=C(Nc1ccc(O)cc1)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
| smiles = O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(I)cc3)c4C
| InChI = 1/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
| InChIKey = IJBZOOZRAXHERC-DOFZRALJBG
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | StdInChI = 1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = BUZAJRPLUGXRAB-UHFFFAOYSA-N | StdInChIKey = IJBZOOZRAXHERC-DOFZRALJSA-N
}} }}

Revision as of 19:35, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 460001893 of page AM404 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • (5Z,8Z,11Z,14Z)- N-(4-hydroxyphenyl)icosa- 5,8,11,14-tetraenamide
PubChem CID
ChemSpider
ChEMBL
Chemical and physical data
FormulaC26H37NO2
Molar mass395.577 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C(Nc1ccc(O)cc1)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
InChI
  • InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
  • Key:IJBZOOZRAXHERC-DOFZRALJSA-N
  (verify)