| Revision as of 21:20, 27 November 2010 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey.← Previous edit |
Latest revision as of 03:03, 30 July 2021 edit undoCitation bot (talk | contribs)Bots5,428,627 edits Add: s2cid. | Use this bot. Report bugs. | Suggested by Abductive | Category:Pharmacology stubs | #UCB_Category 448/606 |
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{{chembox |
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{{chembox |
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|ImageFile=Photochlor.png |
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|ImageSize=200px |
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| verifiedrevid = 477198133 |
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|IUPACName= |
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|OtherNames=Photochlor |
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| ImageFile=Photochlor.png |
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| ImageSize=200px |
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| IUPACName= |
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| OtherNames=Photochlor |
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|Section1={{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| Abbreviations = HPPH |
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| Abbreviations = HPPH |
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| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
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| ChemSpiderID = 4589621 |
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| ChemSpiderID = 4589621 |
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| InChI = 1/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,40-41H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1 |
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| InChI = 1/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,40-41H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1 |
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| InChIKey = ODJVLHDVEGAIAW-NMWXTPPCBI |
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| InChIKey = ODJVLHDVEGAIAW-NMWXTPPCBI |
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| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
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| SMILES1 = O=C(O)CC6c2nc(cc5c(c(c(cc1c(c(c(n1)cc\3nc4c2CC(=O)\C4=C/3C)CC)C)n5)C(OCCCCCC)C)C)6C |
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| StdInChI = 1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,40-41H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1 |
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| StdInChI = 1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,40-41H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1 |
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| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
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| StdInChIKey = ODJVLHDVEGAIAW-NMWXTPPCSA-N |
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| StdInChIKey = ODJVLHDVEGAIAW-NMWXTPPCSA-N |
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| CASNo_Ref = {{cascite|correct|CAS}} |
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| CASNo=149402-51-7 |
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| CASNo=149402-51-7 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| PubChem=5488034 |
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| UNII = DOB7Y3RSX0 |
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| SMILES=CCCCCCOC(C)C1=C2C=C3C(=C(C(=CC4=NC5=C(CC(=O)C5=C4C)C6=NC(=CC(=C1C)N2)(6CCC(=O)O)C)N3)CC)C |
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| PubChem=5488034 |
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| SMILES=CCCCCCOC(C)C1=C2C=C3C(=C(C(=CC4=NC5=C(CC(=O)C5=C4C)C6=NC(=CC(=C1C)N2)(6CCC(=O)O)C)N3)CC)C |
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|Section2={{Chembox Properties |
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|Section2={{Chembox Properties |
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| C=39|H=48|N=4|O=4 |
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| C=39 | H=48 | N=4 | O=4 |
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| Appearance= |
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| Density= |
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|Section3={{Chembox Hazards |
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|Section3={{Chembox Hazards |
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| MainHazards= |
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| FlashPt= |
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| AutoignitionPt = |
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'''2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a''' ('''HPPH''') is a photosensitiser chemical that is used in ].<ref>{{cite journal | pmid = 11891727 | year = 2001 | last1 = Lobel | first1 = J | last2 = MacDonald | first2 = IJ | last3 = Ciesielski | first3 = MJ | last4 = Barone | first4 = T | last5 = Potter | first5 = WR | last6 = Pollina | first6 = J | last7 = Plunkett | first7 = RJ | last8 = Fenstermaker | first8 = RA | last9 = Dougherty | first9 = TJ | title = 2-1-hexyloxyethyl-2-devinyl pyropheophorbide-a (HPPH) in a nude rat glioma model: implications for photodynamic therapy | volume = 29 | issue = 5 | pages = 397–405 | journal = Lasers in surgery and medicine | doi = 10.1002/lsm.10001 }}</ref> |
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'''2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a''' ('''HPPH''') is a photosensitiser chemical that is used in ].<ref>{{cite journal | pmid = 11891727 | year = 2001 | last1 = Lobel | first1 = J | last2 = MacDonald | first2 = IJ | last3 = Ciesielski | first3 = MJ | last4 = Barone | first4 = T | last5 = Potter | first5 = WR | last6 = Pollina | first6 = J | last7 = Plunkett | first7 = RJ | last8 = Fenstermaker | first8 = RA | last9 = Dougherty | first9 = TJ | title = 2-1-hexyloxyethyl-2-devinyl pyropheophorbide-a (HPPH) in a nude rat glioma model: implications for photodynamic therapy | volume = 29 | issue = 5 | pages = 397–405 | journal = Lasers in Surgery and Medicine | doi = 10.1002/lsm.10001 | s2cid = 22578518 }}</ref> |
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It is being developed under the brand name '''Photochlor'''. |
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It is being developed under the brand name '''Photochlor'''. |
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A phase II trial for ] is due to run from 2007 to 2011.<ref></ref> |
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A phase II trial for ] is due to run from 2007 to 2011.<ref></ref> |
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==References== |
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==References== |
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{{reflist}} |
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{{reflist}} |
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