Chemical Formula: | C31H36FN3O4S |
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Molecular Weight: | 565.7 |
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Synonyms: | Lumateperone (Tosylate); Iti 007; 1-(4-Fluorophenyl)-4-[(6Br,10As)-2,3,6B,9,10,10A-Hexahydro-3-Methyl-1H-PyridoPyrrolo[1,2,3-De]Quinoxalin-8(7H)-Yl]-1-Butanone 4-Methylbenzenesulfonate (1:1); Lumateperone(Iti-007) |
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MDL No.: | MFCD29922434 |
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EINECS / EC No.: | N/A |
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Pubchem CID: | 44241743 |
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IUPAC Name: | 1-(4-fluorophenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one;4-methylbenzenesulfonic acid |
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Standard InchI: | InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 |
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InchI Key: | LHAPOGAFBLSJJQ-GUTACTQSSA-N |
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SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2C3CCN(CC3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F |
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Appearance: | - |
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Melting Point: | N/A |
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Boiling Point: | N/A |
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Density (Theoretical): | N/A |
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