Name | lumateperone(Tosylate) |
Iupac Chemical Name | 1-(4-fluorophenyl)-4-[(6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl]butan-1-one toluenesulfonic acid |
Synonyms | ITI 007 ; ITI-007 ; ITI007 ; lumateperone Tosylate |
Molecular Formula | C₃₁H₃₆FN₃O₄S |
Molecular Weight | 565.7 |
Smile | O=C(C1=CC=C(F)C=C1)CCCN2CC[C@@](N3CCN(C)C4=C3C5=CC=C4)([H])[C@@]5([H])C2.CC6=CC=C(S(=O)(O)=O)C=C6 |
InChiKey | LHAPOGAFBLSJJQ-GUTACTQSSA-N |
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 |
CAS Number | 1187020-80-9 |
Related CAS | 1187020-80-9 (tosylate) 313368-91-1 (free base) |