Catalog Number:
AG008TP6
Chemical Name:
Lumateperone (tosylate)
CAS Number:
1187020-80-9
Molecular Formula:
C31H36FN3O4S
Molecular Weight:
565.6986
MDL Number:
MFCD29922434
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
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
InChI Key:
LHAPOGAFBLSJJQ-GUTACTQSSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3C
UNII:
JIE88N006O
