1. Primary Information
| English name: | Piperaquine tetraphosphate tetrahydrate |
| CAS No.: | 915967-82-7 |
| Molecular formula: | C29H52Cl2N6O20P4 |
| Molecular weight: | 999.5 g/mol |
| SMILES: | C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.O.O.O.O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O |
| Structural class: | |
| Other identifiers: |
1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propane piperaquine piperaquine phosphate piperaquine phosphate (1:1) piperaquine phosphate (1:4) anhydrous |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 200mg | HPLC≥98% | 128 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98% | 62 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 185 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥98% | 384 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | ≥98% | 1024 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid;tetrahydrate
4.2 InChI
InChI=1S/C29H32Cl2N6.4H3O4P.4H2O/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;4*1-5(2,3)4;;;;/h2-9,20-21H,1,10-19H2;4*(H3,1,2,3,4);4*1H2
4.3 InChIKey
AMCQDGFOKTXHSY-UHFFFAOYSA-N
4.4 Canonical SMILES
C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.O.O.O.O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
4.5 Isomeric SMILES
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