Misplaced Pages

:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions - Misplaced Pages

Article snapshot taken from Wikipedia with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
< Misplaced Pages:WikiProject Chemicals | Chembox validation Browse history interactively← Previous editNext edit →Content deleted Content addedVisualWikitext
Revision as of 18:44, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466112270 of page 8-OH-DPAT for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 18:44, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 455740612 of page 8-OH-PBZI for the Chem/Drugbox validation project (updated: '').Next edit →
Line 1: Line 1:
{{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
⚫ | verifiedrevid = 454545458
| Verifiedfields = changed
| IUPAC_name = (3aS,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzoindol-8-ol
| Watchedfields = changed
| image = 8OHPBZI_structure.png
⚫ | verifiedrevid = 456505052

| ImageFile = 8-OH-DPAT.svg
<!--Clinical data-->
| ImageFile_Ref = {{chemboximage|correct|??}}
| ImageSize = 244 | tradename =
| pregnancy_category =
| ImageName = Kekulé, skeletal formula of 8-OH-DPAT
| legal_status =
| IUPACName = 8-Hydroxy-''N'',''N''-dipropyl-2-aminotetralin{{Citation needed|date = June 2011}}
| routes_of_administration =
| SystematicName = 7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol<ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1220|title = 8-hydroxy-2-(di-N-propylamino)tetralin - PubChem Public Chemical Database|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information}}</ref>

| Section1 = {{Chembox Identifiers
<!--Pharmacokinetic data-->
| Abbreviations = 8-OH-DPAT
| bioavailability =
| CASNo_Ref = {{cascite|changed|??}}
| metabolism =
| CASNo = <!-- blanked - oldvalue: 78950-78-4 -->
| elimination_half-life =
⚫ | PubChem = 1220
| excretion =
| PubChem_Ref = {{Pubchemcite|correct|pubchem}}

| PubChem1 = 6603866
<!--Identifiers-->
| PubChem1_Ref = {{Pubchemcite|correct|pubchem}}
| CAS_number =
| PubChem1_Comment = <small>(''R'')</small>
| PubChem2 = 10125797 | ATC_prefix = none
| ATC_suffix =
| PubChem2_Ref = {{Pubchemcite|correct|pubchem}}
⚫ | PubChem = 10353845
| PubChem2_Comment = <small>(''S'')</small>
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 1183 | ChemSpiderID = 8529297
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}

| ChemSpiderID1 = 5036174
<!--Chemical data-->
⚫ | ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}}
⚫ | C=15 | H=21 | N=1 | O=1
| ChemSpiderID1_Comment = <small>(''R'')</small>
| molecular_weight = 231.333 g/mol
| ChemSpiderID2 = 8301316
| smiles = CCCN1CC21CCC3=C2C=C(C=C3)O
⚫ | ChemSpiderID2_Ref = {{chemspidercite|correct|chemspider}}
| InChI = 1/C15H21NO/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6-15(13)16/h3,5,10,13,15,17H,2,4,6-9H2,1H3/t13-,15+/m1/s1
| ChemSpiderID2_Comment = <small>(''S'')</small>
| InChIKey = LJDRQPOQHHOXHM-HIFRSBDPBD
| MeSHName = 8-Hydroxy-2-(di-N-propylamino)tetralin
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| ChEMBL = 56
| StdInChI = 1S/C15H21NO/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6-15(13)16/h3,5,10,13,15,17H,2,4,6-9H2,1H3/t13-,15+/m1/s1
| ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| IUPHAR_ligand = 7
⚫ | StdInChIKey = LJDRQPOQHHOXHM-HIFRSBDPSA-N
| SMILES = CCCN(CCC)C1CCc2cccc(O)c2C1
| SMILES1 = CCCN(CCC)C1CCC2=C(C1)C(O)=CC=C2
| StdInChI = 1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| InChI = 1/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
⚫ | StdInChIKey = ASXGJMSKWNBENU-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| InChIKey = ASXGJMSKWNBENU-UHFFFAOYAY
}}
| Section2 = {{Chembox Properties
⚫ | C=16|H=25|N=1|O=1
| ExactMass = 247.193614427 g mol<sup>-1</sup>
| LogP = 3.711
| pKa = 10.539
| pKb = 3.458
}}
| Section3 = {{Chembox Pharmacology
| HalfLife = 1.5 hours
}}
}} }}

Revision as of 18:44, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 455740612 of page 8-OH-PBZI with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
ATC code
  • none
Identifiers
IUPAC name
  • (3aS,9bR)-3-propyl-1,2,3a,4,5,9b-hexahydrobenzoindol-8-ol
PubChem CID
ChemSpider
Chemical and physical data
FormulaC15H21NO
Molar mass231.333 g/mol g·mol
3D model (JSmol)
SMILES
  • CCCN1CC21CCC3=C2C=C(C=C3)O
InChI
  • InChI=1S/C15H21NO/c1-2-8-16-9-7-13-14-10-12(17)5-3-11(14)4-6-15(13)16/h3,5,10,13,15,17H,2,4,6-9H2,1H3/t13-,15+/m1/s1
  • Key:LJDRQPOQHHOXHM-HIFRSBDPSA-N
  (verify)