1. Primary Information
| English name: | Pimavanserin Tartrate |
| CAS No.: | 706782-28-7 |
| Molecular formula: | C54H74F2N6O10 |
| Molecular weight: | 1005.2 g/mol |
| SMILES: | CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.C(C(C(=O)O)O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
ACP 103 ACP-103 ACP103 bis(1-(4-fluorobenzyl)-1-(1-methylpiperidin-4-yl)-3-(4-(2-methylpropoxy)benzyl)urea) (2R,3R)-2,3-dihydroxybutanedioate N-(4-fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl)carbamide |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 2mg | 99% | 200 | RT | in stock | - |
| Kehua Intelligence | 5mg | 99% | 320 | RT | in stock | - |
| Kehua Intelligence | 10mg | 99% | 440 | RT | in stock | - |
| Kehua Intelligence | 50mg | 99% | 1360 | RT | in stock | - |
| Kehua Intelligence | 100mg | 99% | 2080 | RT | in stock | - |
| Kehua Intelligence | 200mg | 99% | 3200 | RT | in stock | - |
| Kehua Intelligence | 500mg | 99% | 4800 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
4.2 InChI
InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
4.3 InChIKey
RGSULKHNAKTFIZ-CEAXSRTFSA-N
4.4 Canonical SMILES
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.C(C(C(=O)O)O)(C(=O)O)O
4.5 Isomeric SMILES
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
