CAS No. 1187020-80-9

 

Product Information

Chemical Formula: C31H36FN3O4S
Molecular Weight:565.7
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)
MDL No.:MFCD29922434
EINECS / EC No.:N/A
Pubchem CID:44241743
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
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
InchI Key:LHAPOGAFBLSJJQ-GUTACTQSSA-N
SMILES:CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2C3CCN(CC3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
Appearance:-
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):N/A

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305 P351 P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07