1. Primary Information
| English name: | AZD9496 (maleate) |
| CAS No.: | 1639042-28-6 |
| Molecular formula: | C29H29F3N2O6 |
| Molecular weight: | 558.5 g/mol |
| SMILES: | CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24.C(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 1040 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1840 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(Z)-but-2-enedioic acid;(E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
4.2 InChI
InChI=1S/C25H25F3N2O2.C4H4O4/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32;5-3(6)1-2-4(7)8/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32);1-2H,(H,5,6)(H,7,8)/b9-8+;2-1-/t14-,24-;/m1./s1
4.3 InChIKey
GYRUZXFUFGWTAG-DMSKNVGDSA-N
4.4 Canonical SMILES
CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24.C(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)/C=C/C(=O)O)F)NC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
