| Revision as of 18:42, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456506068 of page 7-OH-DPAT for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit |
Revision as of 18:42, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 461357800 of page 7-PET 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|chembox}}) taken from revid of page ] with values updated to verified values.}} |
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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.}} |
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{{Chembox |
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{{Drugbox |
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| verifiedrevid = 447991324 |
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| Verifiedfields = changed |
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| IUPAC_name = 7-endoethenotetrahydrothebaine |
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| verifiedrevid = 456504841 |
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| ImageFile = 7-OH-DPAT_structure.png |
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| image = 7-PET_structure.png |
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| ImageFile_Ref = {{chemboximage|correct|??}} |
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<!--Clinical data--> |
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| ImageSize = 244 |
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| tradename = |
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| ImageName = Kekulé, skeletal formula of 7-OH-DPAT |
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| legal_status = |
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| IUPACName = 7-Hydroxy-''N'',''N''-dipropyl-2-aminotetralin{{Citation needed|date = June 2011}} |
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| SystematicName = 7-(Dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol<ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1219|title = 7-hydroxy-2-N,N-dipropylaminotetralin - PubChem Public Chemical Database|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information}}</ref> |
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| Section1 = {{Chembox Identifiers |
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<!--Identifiers--> |
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| CAS_number_Ref = {{cascite|correct|??}} |
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| Abbreviations = 7-OH-DPAT |
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| CAS_number = <!-- blanked - oldvalue: 13965-63-4 --> |
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| CASNo_Ref = {{cascite|changed|??}} |
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| PubChem = 203125 |
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| CASNo = <!-- blanked - oldvalue: 74938-11-7 --> |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| PubChem = 1219 |
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| ChemSpiderID = 21106246 |
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| PubChem_Ref = {{Pubchemcite|correct|PubChem}} |
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| PubChem1 = 6603867 |
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<!--Chemical data--> |
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| PubChem1_Ref = {{Pubchemcite|correct|PubChem}} |
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| C=31 | H=39 | N=1 | O=4 |
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| PubChem1_Comment = <small>(''R'')</small> |
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| molecular_weight = 487.64 g/mol |
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| PubChem2 = 23928184 |
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| smiles = CN5CCC16c4c2OC1C3(OC)C=CC6(C5Cc4ccc2OC)CC3C(O)(C)CCc7ccccc7 |
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| PubChem2_Ref = {{Pubchemcite|correct|PubChem}} |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| PubChem2_Comment = <small>(''S'')</small> |
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| StdInChI = 1S/C31H39NO4/c1-28(33,13-12-20-8-6-5-7-9-20)23-19-29-14-15-31(23,35-4)27-30(29)16-17-32(2)24(29)18-21-10-11-22(34-3)26(36-27)25(21)30/h5-11,23-24,27,33H,12-19H2,1-4H3/t23?,24-,27?,28?,29-,30+,31-/m1/s1 |
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| ChemSpiderID = 1182 |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = CSZMZMPPNJFGRW-TZBHJBKBSA-N |
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| ChemSpiderID1 = 5036175 |
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| ChemSpiderID1_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID1_Comment = <small>(''R'')</small> |
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| MeSHName = 7-Hydroxy-2-N,N-dipropylaminotetralin |
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| ChEMBL = 285755 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| SMILES = CCCN(CCC)C1CCc2ccc(O)cc2C1 |
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| SMILES1 = CCCN(CCC)C1CCC2=C(C1)C=C(O)C=C2 |
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| StdInChI = 1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3 |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| InChI = 1/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3 |
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| StdInChIKey = BLYMJBIZMIGWFK-UHFFFAOYSA-N |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| InChIKey = BLYMJBIZMIGWFK-UHFFFAOYAH |
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}} |
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| Section2 = {{Chembox Properties |
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| C=16|N=1|H=25|O=1 |
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| ExactMass = 247.193614427 g mol<sup>-1</sup> |
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| LogP = 3.653 |
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| pKa = 10.389 |
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| pKb = 3.608 |
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}} |
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}} |
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}} |
