 | | 8E2 | | Name: | Preladenant conjugate PSB-2113 | | Formula: | C38 H52 N10 O9 | | SMILES: | CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3ncc4c3nc(N)n5nc(nc45)c6occc6 | | InChi: | InChI=1S/C38H52N10O9/c1-38(2,3)57-33(50)27-54-24-23-53-22-21-52-20-19-51-18-10-40-32(49)26-56-29-8-6-28(7-9-29)46-14-11-45(12-15-46)13-16-47-35-30(25-41-47)36-42-34(31-5-4-17-55-31)44-48(36)37(39)43-35/h4-9,17,25H,10-16,18-24,26-27H2,1-3H3,(H2,39,43)(H,40,49) | | Synonyms: | ~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate | | Definition date: | 2021-10-09 | | Last modified: | 2022-08-22 | | Release date: | 2022-03-02 | | Identifier: | ~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate |
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 | | CFH | | Name: | 1,1,1,3,3,3-hexafluoropropan-2-ol | | Formula: | C3 H2 F6 O | | SMILES: | FC(F)(F)C(O)C(F)(F)F | | InChi: | InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H | | Definition date: | 2009-06-19 | | Last modified: | 2011-06-04 | | Identifier: | 1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | | D1X | | Name: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid | | Formula: | C6 H5 N O4 | | SMILES: | O=C1NC(=O)C=C(C(=O)O)C1 | | InChi: | InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1H,2H2,(H,10,11)(H,7,8,9) | | Definition date: | 2010-06-01 | | Last modified: | 2011-06-04 | | Identifier: | 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid |
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