RI01722451 | Fluorodopa F 18,4TMS,isomer#3 | JsmolC[Si](C)(C)OC1=CC([18F])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C | TMS | 502.22 | Standard non polar | 2178.131 |
RI01722450 | Fluorodopa F 18,4TMS,isomer#2 | JsmolC[Si](C)(C)OC(=O)[C@H](CC1=CC(O[Si](C)(C)C)=C(O)C=C1[18F])N([Si](C)(C)C)[Si](C)(C)C | TMS | 502.22 | Standard non polar | 2227.3152 |
RI01722449 | Fluorodopa F 18,4TMS,isomer#1 | JsmolC[Si](C)(C)N[C@@H](CC1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1[18F])C(=O)O[Si](C)(C)C | TMS | 502.22 | Standard non polar | 2099.0789 |
RI01722448 | Cenobamate,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl)[Si](C)(C)C(C)(C)C | TBDMS | 495.2253 | Standard polar | 3592.305 |
RI01722447 | Cenobamate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl | TBDMS | 381.1388 | Standard polar | 3856.888 |
RI01722446 | Cenobamate,2TMS,isomer#1 | JsmolC[Si](C)(C)N(C(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl)[Si](C)(C)C | TMS | 411.1314 | Standard polar | 3579.0938 |
RI01722445 | Cenobamate,1TMS,isomer#1 | JsmolC[Si](C)(C)NC(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl | TMS | 339.0918 | Standard polar | 3838.7742 |
RI01722444 | Cenobamate,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl)[Si](C)(C)C(C)(C)C | TBDMS | 495.2253 | Semi standard non polar | 2828.5188 |
RI01722443 | Cenobamate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl | TBDMS | 381.1388 | Semi standard non polar | 2591.7449 |
RI01722442 | Cenobamate,2TMS,isomer#1 | JsmolC[Si](C)(C)N(C(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl)[Si](C)(C)C | TMS | 411.1314 | Semi standard non polar | 2382.0598 |
RI01722441 | Cenobamate,1TMS,isomer#1 | JsmolC[Si](C)(C)NC(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl | TMS | 339.0918 | Semi standard non polar | 2408.7275 |
RI01722440 | Cenobamate,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl)[Si](C)(C)C(C)(C)C | TBDMS | 495.2253 | Standard non polar | 2755.3623 |
RI01722439 | Cenobamate,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NC(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl | TBDMS | 381.1388 | Standard non polar | 2531.4788 |
RI01722438 | Cenobamate,2TMS,isomer#1 | JsmolC[Si](C)(C)N(C(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl)[Si](C)(C)C | TMS | 411.1314 | Standard non polar | 2436.4802 |
RI01722437 | Cenobamate,1TMS,isomer#1 | JsmolC[Si](C)(C)NC(=O)O[C@@H](CN1N=CN=N1)C1=CC=CC=C1Cl | TMS | 339.0918 | Standard non polar | 2335.0574 |
RI01722436 | Ubrogepant,2TBDMS,isomer#1 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C(C)(C)C)C2=NC=CC=C24)[Si](C)(C)C(C)(C)C)C(=O)N1CC(F)(F)F | TBDMS | 777.3717 | Standard polar | 4730.384 |
RI01722435 | Ubrogepant,1TBDMS,isomer#2 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C(C)(C)C)C2=NC=CC=C24)C(=O)N1CC(F)(F)F | TBDMS | 663.2853 | Standard polar | 4954.9883 |
RI01722434 | Ubrogepant,1TBDMS,isomer#1 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C24)[Si](C)(C)C(C)(C)C)C(=O)N1CC(F)(F)F | TBDMS | 663.2853 | Standard polar | 5317.993 |
RI01722433 | Ubrogepant,2TMS,isomer#1 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C)C2=NC=CC=C24)[Si](C)(C)C)C(=O)N1CC(F)(F)F | TMS | 693.2778 | Standard polar | 4658.3022 |
RI01722432 | Ubrogepant,1TMS,isomer#2 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C)C2=NC=CC=C24)C(=O)N1CC(F)(F)F | TMS | 621.2383 | Standard polar | 4918.9263 |
RI01722431 | Ubrogepant,1TMS,isomer#1 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C24)[Si](C)(C)C)C(=O)N1CC(F)(F)F | TMS | 621.2383 | Standard polar | 5262.5166 |
RI01722430 | Ubrogepant,2TBDMS,isomer#1 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C(C)(C)C)C2=NC=CC=C24)[Si](C)(C)C(C)(C)C)C(=O)N1CC(F)(F)F | TBDMS | 777.3717 | Semi standard non polar | 4256.169 |
RI01722429 | Ubrogepant,1TBDMS,isomer#2 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C(C)(C)C)C2=NC=CC=C24)C(=O)N1CC(F)(F)F | TBDMS | 663.2853 | Semi standard non polar | 4147.2866 |
RI01722428 | Ubrogepant,1TBDMS,isomer#1 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C24)[Si](C)(C)C(C)(C)C)C(=O)N1CC(F)(F)F | TBDMS | 663.2853 | Semi standard non polar | 4224.6626 |
RI01722427 | Ubrogepant,2TMS,isomer#1 | JsmolC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](N(C(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C)C2=NC=CC=C24)[Si](C)(C)C)C(=O)N1CC(F)(F)F | TMS | 693.2778 | Semi standard non polar | 3851.3228 |