1. Primary Information
| English name: | (S)-6-phenyl-3,10-bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole dihydrochloride |
| CAS No.: | 1585969-27-2 |
| Molecular formula: | C35H35Cl2N7O |
| Molecular weight: | 640.6 g/mol |
| SMILES: | C1CC(NC1)C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)C8CCCN8)C9=CC=CC=C9.Cl.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 5520 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | 98% | 21920 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(6S)-6-phenyl-3,10-bis[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazine;dihydrochloride
4.2 InChI
InChI=1S/C35H33N7O.2ClH/c1-2-6-21(7-3-1)35-42-30-13-11-22(28-19-38-33(40-28)26-8-4-14-36-26)16-24(30)17-31(42)25-12-10-23(18-32(25)43-35)29-20-39-34(41-29)27-9-5-15-37-27;;/h1-3,6-7,10-13,16-20,26-27,35-37H,4-5,8-9,14-15H2,(H,38,40)(H,39,41);2*1H/t26-,27-,35-;;/m0../s1
4.3 InChIKey
XIEVQHFLPZHVSW-UUKHLAGGSA-N
4.4 Canonical SMILES
C1CC(NC1)C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)C8CCCN8)C9=CC=CC=C9.Cl.Cl
4.5 Isomeric SMILES
C1C[C@H](NC1)C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8)C9=CC=CC=C9.Cl.Cl
