1. Primary Information
| English name: | Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide, 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-N-(trans-4-hydroxycyclohexyl)-1'-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2-oxo-, (2'R,3S,4'S,5'R)- |
| CAS No.: | 1303609-36-0 |
| Molecular formula: | C43H46Cl2FN3O4 |
| Molecular weight: | 758.7 g/mol |
| SMILES: | CC(C)(C)CC1C2(C(C(N1C(C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(=O)NC5CCC(CC5)O)C6=C(C(=CC=C6)Cl)F)C7=C(C=C(C=C7)Cl)NC2=O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500mg | 98% | 13120 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-1'-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
4.2 InChI
InChI=1S/C43H46Cl2FN3O4/c1-42(2,3)24-34-43(31-22-17-27(44)23-33(31)48-41(43)53)35(30-15-10-16-32(45)36(30)46)38(40(52)47-28-18-20-29(50)21-19-28)49(34)37(25-11-6-4-7-12-25)39(51)26-13-8-5-9-14-26/h4-17,22-23,28-29,34-35,37-39,50-51H,18-21,24H2,1-3H3,(H,47,52)(H,48,53)/t28?,29?,34-,35+,37-,38-,39+,43+/m1/s1
4.3 InChIKey
RMDLCHAGVUSJTL-ZNOBKSOISA-N
4.4 Canonical SMILES
CC(C)(C)CC1C2(C(C(N1C(C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(=O)NC5CCC(CC5)O)C6=C(C(=CC=C6)Cl)F)C7=C(C=C(C=C7)Cl)NC2=O
4.5 Isomeric SMILES
CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1[C@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)O)C(=O)NC5CCC(CC5)O)C6=C(C(=CC=C6)Cl)F)C7=C(C=C(C=C7)Cl)NC2=O
