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LGX 818, TRC
Specifications
Specifications
| Chemischer Name oder Material | Encorafenib |
| CAS | 1269440-17-6 |
| Summenformel | C22 H27 Cl F N7 O4 S |
| Menge | 5 mg |
| Synonym | Carbamic acid, N-[(1S)-2-[[4-[3-[5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester, (S)-Methyl [1-[[4-[3-[5-chloro-2-fluoro-3-(methylsulfonamido)phenyl]-1-isopropyl-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate, Encorafenib, LGX 818, NVP-LGX 818NXA, N-[(1S)-2-[[4-[3-[5-Chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-carbamic Acid Methyl Ester, LGX 818, N-[(1S)-2-[[4-[3-[5-Chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-carbamic Acid Methyl Ester, (S)-Methyl [1-[[4-[3-[5-chloro-2-fluoro-3-(methylsulfonamido)phenyl]-1-isopropyl-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate |
| InChI-Formel | InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1 |
| SMILES | COC(=O)N[C@@H](C)CNc1nccc(n1)c2cn(nc2c3cc(Cl)cc(NS(=O)(=O)C)c3F)C(C)C |
| IUPAC-Name | Methyl N-[(1S)-2-[[4-[3-[5-Chlor-2-Fluor-3-(Methansulfonamido)phenyl]-1-Isopropyl-Pyrazol-4-yl]Pyrimidin-2-yl]Amino]-1-Methyl-Ethyl]Carbamat |
| Molekulargewicht (g/mol) | 540.01 |
| Formelmasse | 539.1518 |
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