1. Primary Information
| English name: | Lumateperone Tosylate |
| CAS No.: | 1187020-80-9 |
| Molecular formula: | C31H36FN3O4S |
| Molecular weight: | 565.7 g/mol |
| SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2C3CCN(CC3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F |
| Structural class: | |
| Other identifiers: |
ITI-007 ITI-722 lumateperone lumateperone tosylate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 560 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 3600 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 5520 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 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
4.2 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
4.3 InChIKey
LHAPOGAFBLSJJQ-GUTACTQSSA-N
4.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2C3CCN(CC3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
4.5 Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F
