1. Primary Information
| English name: | Pixantrone dimaleate |
| CAS No.: | 144675-97-8 |
| Molecular formula: | C25H27N5O10 |
| Molecular weight: | 557.5 g/mol |
| SMILES: | C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
5,8-bis((2-aminoethyl)amino)-2-aza-anthracene-9,10-dione 5,8-bis(2-aminoethylamino)-2-azaanthracene-9,10-dione 6,9-AEA-BIQDO 6,9-bis((2-aminoethyl)amino)benzo(g)isoquinoline-5,10-dione BBR 2778 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 95% | 307 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 95% | 512 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 95% | 1152 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 95% | 1920 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione;(Z)-but-2-enedioic acid
4.2 InChI
InChI=1S/C17H19N5O2.2C4H4O4/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24;2*5-3(6)1-2-4(7)8/h1-3,6,9,21-22H,4-5,7-8,18-19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
4.3 InChIKey
SVAGFBGXEWPNJC-SPIKMXEPSA-N
4.4 Canonical SMILES
C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
C1=CC(=C2C(=O)C3=C(C(=O)C2=C1NCCN)C=CN=C3)NCCN.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
