1. Primary Information
| English name: | Tarloxotinib bromide |
| CAS No.: | 1636180-98-7 |
| Molecular formula: | C24H24BR2ClN9O3 |
| Molecular weight: | 681.8 g/mol |
| SMILES: | CN1C=NC(=C1C[N+](C)(C)CC=CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Br)[N+](=O)[O-].[Br-] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 3200 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 5440 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 10400 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 14400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(E)-4-[[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;bromide
4.2 InChI
InChI=1S/C24H23BrClN9O3.BrH/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15;/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36);1H/b5-4+;
4.3 InChIKey
WAKIMVYUBWMMHJ-FXRZFVDSSA-N
4.4 Canonical SMILES
CN1C=NC(=C1C[N+](C)(C)CC=CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Br)[N+](=O)[O-].[Br-]
4.5 Isomeric SMILES
CN1C=NC(=C1C[N+](C)(C)C/C=C/C(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Br)[N+](=O)[O-].[Br-]
