Account 10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxylic acid, 7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-, (3aR,7S,10S,12R,21E,24aR)-
- Catalog No. :
- ACBYNC213
- CAS No. :
- 2001608-72-4
- Molecular Formula :
- C29H34F2N4O7
- Molecular Weight :
- 588.61
IUPAC Name:(33R,35S,91R,92R,5S,E)-5-(tert-butyl)-14,14-difluoro-4,7-dioxo-2,8,10-trioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopentanacyclotetradecaphan-12-ene-35-carboxylic acid
![10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxylic acid, 7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-, (3aR,7S,10S,12R,21E,24aR)- structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxylic acid, 7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-, (3aR,7S,10S,12R,21E,24aR)- |
|---|---|
| IUPAC Name | (33R,35S,91R,92R,5S,E)-5-(tert-butyl)-14,14-difluoro-4,7-dioxo-2,8,10-trioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopentanacyclotetradecaphan-12-ene-35-carboxylic acid |
| Molecular Formula | C29H34F2N4O7 |
| Molecular Weight | 588.61 |
| SMILES | O=C([C@H]1N(C2)C([C@H](C(C)(C)C)NC(O[C@@](CCC3)([H])[C@]3([H])OC/C=C/C(F)(F)C4=NC5=CC=CC=C5N=C4O[C@]2([H])C1)=O)=O)O |
| InChI Key | GAWSCEHDGCHIPM-CARGABRYSA-N |
| Synonym | ABT493-72-4;(3aR,7S,10S,12R,21E,24aR)-7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro- 5,8-dioxo-10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6] trioxadiazacy clononadecino[11,12-b]Quinoxaline-10-Carboxylic Acid;10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxylic acid, 7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-, (3aR,7S,10S,12R,21E,24aR)-;ABT-493/G intermediate |
| CAS No. | 2001608-72-4 |
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. ACBYNC213 Molecular Building Block Synthetic Route
(33R,35S,91R,92R,5S,E)-5-(tert-Butyl)-14,14-difluoro-4,7-dioxo-2,8,10-trioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopentanacyclotetradecaphan-12-ene-35-carboxylic acid
(33R,35S,91R,92R,5S,E)-5-(tert-Butyl)-N-((1R,2R)-2-(difluoromethyl)-1-(((1-methylcyclopropyl)sulfonyl)carbamoyl)cyclopropyl)-14,14-difluoro-4,7-dioxo-2,8,10-trioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopentanacyclotetradecaphan-12-ene-35-carboxamide
(2S,4R)-1-tert-Butyl 2-methyl 4-((3-(1,1-difluoroallyl)quinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate