Account Faldaprevir sodium
- Catalog No. :
- ACBIKT271
- CAS No. :
- 1215856-44-2
- Molecular Formula :
- C40H48BrN6NaO9S
- Molecular Weight :
- 891.82
IUPAC Name:sodium (1R,2S)-1-((2S,4S)-4-((8-bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylate
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Product Information
| Product Name | Faldaprevir sodium |
|---|---|
| IUPAC Name | sodium (1R,2S)-1-((2S,4S)-4-((8-bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylate |
| Molecular Formula | C40H48BrN6NaO9S |
| Molecular Weight | 891.82 |
| SMILES | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](OC2=CC(C3=CSC(NC(=O)C(C)C)=N3)=NC3=C(Br)C(OC)=CC=C23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)[O-].[Na+] |
| InChI Key | JYIOGGWFNHGWMN-POGSARDOSA-M |
| Synonym | Faldaprevir sodium (JAN/USAN);Faldaprevir sodium |
| CAS No. | 1215856-44-2 |
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. ACBIKT271 Molecular Building Block Synthetic Route
(1R,2S)-1-((2S,4R)-4-((8-Bromo-2-(2-isobutyramidothiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-1-((S)-2-(((cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamido)-2-vinylcyclopropane-1-carboxylic acid
(2R,6S,13aS,14aR,16aS,Z)-6-(((cyclopentyloxy)carbonyl)amino)-2-((2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid
BI-1230