Account Tilivalline
- Catalog No. :
- ACSMTC693
- CAS No. :
- 80279-24-9
- Molecular Formula :
- C20H19N3O2
- Molecular Weight :
- 333.39
IUPAC Name:(11S,11aS)-9-hydroxy-11-(1H-indol-3-yl)-1,2,3,10,11,11a-hexahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one
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Product Information
| Product Name | Tilivalline |
|---|---|
| IUPAC Name | (11S,11aS)-9-hydroxy-11-(1H-indol-3-yl)-1,2,3,10,11,11a-hexahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one |
| Molecular Formula | C20H19N3O2 |
| Molecular Weight | 333.39 |
| SMILES | O=C1C2=CC=CC(O)=C2N[C@@H](C3=CNC4=C3C=CC=C4)[C@@]5([H])N1CCC5 |
| InChI Key | AJZNARCWDDMOPL-WMZOPIPTSA-N |
| Synonym | Epitilivalline | (11s,11as)-9-hydroxy-11-(1h-indol-3-yl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one | (6S,6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one |
| CAS No. | 80279-24-9 |
| PubChem CID | 128363 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACSMTC693 Molecular Building Block Synthetic Route
N-(4-Chloro-2-methoxy-5-methylphenyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-(2,6-Dioxopiperidin-3-yl)-4-((1-(4-(8-fluoro-1-oxo-2,3,4,6-tetrahydro-1H-azepino[5,4,3-cd]indol-5-yl)phenyl)-2-methyl-5,8,11,14,17,20-hexaoxa-2-azadocosan-22-yl)amino)isoindoline-1,3-dione
N1-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-4-(trifluoromethyl)benzene-1,2-diamine