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Revision as of 15:53, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464978773 of page Veratridine for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 15:53, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 467362900 of page Verteporfin for the Chem/Drugbox validation project (updated: 'DrugBank', 'ChEMBL').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) 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.}}
{{Chembox {{Drugbox
| Verifiedfields = changed
| verifiedrevid = 402873069 | verifiedrevid = 402873498
| ImageFile = Veratridine structure.png
| IUPAC_name = 3-octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21-dodecaen-9-yl]propanoic acid
| ImageSize = 250px
| image = Verteporfin.svg
| IUPACName =

| OtherNames = Veratrine<br>3-Veratroylveracevine
<!--Clinical data-->
| Section1 = {{Chembox Identifiers
| tradename =
| InChI = 1/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1
| Drugs.com = {{drugs.com|monograph|verteporfin}}
| InChIKey = FVECELJHCSPHKY-XHAQNIINBL
| MedlinePlus = a607060
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| pregnancy_category =
| StdInChI = 1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1
| legal_status =
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| routes_of_administration = ]
⚫ | StdInChIKey = FVECELJHCSPHKY-XHAQNIINSA-N

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

<!--Identifiers-->
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| CAS_number_Ref = {{cascite|correct|??}}
| CASNo = 71-62-5
| CAS_number = 129497-78-5
⚫ | ChEMBL = <!-- blanked - oldvalue: 451227 -->
| PubChem = 6280 | ATC_prefix = S01
| ATC_suffix = LA01
| ATC_supplemental =
| PubChem = 5362420
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB00460
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID=16498858 | ChemSpiderID = 21106402
| UNII_Ref = {{fdacite|correct|FDA}}
| IUPHAR_ligand = 2626
| UNII = 0X9PA28K43
| SMILES = COc1ccc(cc1OC)C(=O)OC6CC8(C)C7CC38(C4(O)5CN2C(C)CC2(C)(O)5(O)(O)C34O)O67O
| KEGG_Ref = {{keggcite|changed|kegg}}
}}
| KEGG = D01162
| Section2 = {{Chembox Properties
| ChEBI_Ref = {{ebicite|changed|EBI}}
| Formula = C<sub>36</sub>H<sub>51</sub>NO<sub>11</sub>
| ChEBI = 60775
| MolarMass = 673.79 g/mol
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| Appearance =
⚫ | ChEMBL = <!-- blanked - oldvalue: 1200573 -->
| Density =
| MeltingPt = | C=41 | H=42 | N=4 | O=8
| molecular_weight = 718.794 g/mol
| BoilingPt =
| smiles = COC(=O)2C(=C\C=C3\c1cc6nc(cc5nc(cc4nc(cc(n1)23C)C(/C)=C4/CCC(=O)OC)c(CCC(O)=O)c5C)C(/C=C)=C6/C)/C(=O)OC
| Solubility =
| InChI = 1/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,43,45H,1,11-12,14-15H2,2-8H3,(H,46,47)/b31-16-,33-18-,34-17-,35-19-/t38-,41+/m0/s1
}}
| InChIKey = ZCQHFRFEJXRZDF-YWANUUMDBT
| Section3 = {{Chembox Hazards
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| MainHazards =
| StdInChI = 1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,43,45H,1,11-12,14-15H2,2-8H3,(H,46,47)/b31-16-,33-18-,34-17-,35-19-/t38-,41+/m0/s1
| FlashPt =
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| Autoignition =
⚫ | StdInChIKey = ZCQHFRFEJXRZDF-YWANUUMDSA-N
}}
}} }}

Revision as of 15:53, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 467362900 of page Verteporfin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
AHFS/Drugs.comMonograph
MedlinePlusa607060
Routes of
administration		Intravenous
ATC code
Identifiers
IUPAC name
  • 3-octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21-dodecaen-9-yl]propanoic acid
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
Chemical and physical data
FormulaC41H42N4O8
Molar mass718.794 g/mol g·mol
3D model (JSmol)
SMILES
  • COC(=O)2C(=C\C=C3\c1cc6nc(cc5nc(cc4nc(cc(n1)23C)C(/C)=C4/CCC(=O)OC)c(CCC(O)=O)c5C)C(/C=C)=C6/C)/C(=O)OC
InChI
  • InChI=1S/C41H42N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,16-19,38,43,45H,1,11-12,14-15H2,2-8H3,(H,46,47)/b31-16-,33-18-,34-17-,35-19-/t38-,41+/m0/s1
  • Key:ZCQHFRFEJXRZDF-YWANUUMDSA-N
  (what is this?)  (verify)